For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
8-bromotheophylline, compd. with 2-amino-2-methyl-1-propanol (1:1)
SpectraBase Compound ID 7jm8fDqBMsn
InChI InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3
InChIKey ATOTUUBRFJHZQG-UHFFFAOYSA-N
Mol Weight 348.2 g/mol
Molecular Formula C11H18BrN5O3
Exact Mass 347.059302 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LUo2nuO8MPn
Name Pamabrom
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number P2359
Lot Number RVNKK-LI
Accessory TRANS *14560FA0
Acquisition Mode double sided, forward-backward
Actual Signal Gain 2
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 0
Analog Signal 1 0.270414
Analog Signal 2 0
Aperture Setting 6 mm
Apodization Function Norton-Beer, medium
Background Measurement Channel Sample Compartment
Background Peak Amplitude 2nd Channel 1
Background Peak Location 2nd Channel 1
Background Scans 32
Background Scans or Time Scans
Backward Peak Amplitude -10348
Backward Peak Location 14480
Beam Splitter Setting KBr
CAS Registry Number 606-04-2
Color Properties White
Container ID C-009674
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 0 s
Detector Setting RT-DLaTGS [Internal]
End Frequency Limit for File 340
External Synchronization Off
Focal Length 100
Formula C11H18BrN5O3
Frequency of First Point 3999.54 cm⁻¹
Frequency of Last Point 339.945 cm⁻¹
High Folding Limit 15800.5
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3
InChIKey ATOTUUBRFJHZQG-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
KBr Capsule ID K-04838
Laser Wavenumber 15800.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Molecular Weight 348.201 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -10710
Peak Amplitude 2nd Channel 1
Peak Location 14476
Peak Location 2nd Channel 1
Pellet ID P-04569
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 10 %
Resolution 2
SKU P2359-1G
SMILES NC(CO)(C)C.[nH]1c2N(C(N(C(c2nc1Br)=O)C)=O)C
Sample Capsule ID S-04838
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.047 s
Scanner Temperature 27.6 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 8-Bromotheophylline 2-amino-2-methyl-1-propanol
Technique KBr1
Zero Filling Factor 8