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4-Phthalimido-2-butyne
SpectraBase Compound ID 71Z3l8i1qTg
InChI InChI=1S/C12H9NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,8H2,1H3
InChIKey COPWPECHFWIYSP-UHFFFAOYSA-N
Mol Weight 199.21 g/mol
Molecular Formula C12H9NO2
Exact Mass 199.063329 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1kvk2nMpSi7
Name 4-Phthalimido-2-butyne
Source of Sample Acros Organics
Catalog Number 382150010
Lot Number A0248575
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 0.27057
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 -11568
Backward Peak Location 14450
Beam Splitter Setting KBr
CAS Registry Number 113439-83-1
Color Properties White to brown
Container ID C-008606
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 C12H9NO2
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/C12H9NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,8H2,1H3
InChIKey COPWPECHFWIYSP-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
KBr Capsule ID K-04930
Laser Wavenumber 15800.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Molecular Weight 199.209 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -11824
Peak Amplitude 2nd Channel 1
Peak Location 14506
Peak Location 2nd Channel 1
Pellet ID P-04611
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 97%
Relative Humidity Interferometer 20 %
Resolution 2
SKU 382150010-1GR
SMILES c12ccccc1C(N(C2=O)CC#CC)=O
Sample Capsule ID S-04930
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.04 s
Scanner Temperature 28.9 °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 1-Phthalimido-2-butyne
Technique KBr1
Zero Filling Factor 8