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Carbamic acid, 4-bromophenyl-, propyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Carbamic acid, 4-bromophenyl-, propyl ester
SpectraBase Compound ID CQSBecCGaza
InChI InChI=1S/C10H12BrNO2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChIKey XBPGGGVAWQWYNT-UHFFFAOYSA-N
Mol Weight 258.11 g/mol
Molecular Formula C10H12BrNO2
Exact Mass 257.005142 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9uNC6VsQjHD
Name Carbamic acid, 4-bromophenyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.005141628 u
Formula C10H12BrNO2
InChI InChI=1S/C10H12BrNO2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChIKey XBPGGGVAWQWYNT-UHFFFAOYSA-N
Molecular Weight 258.115 g/mol
SMILES C1=C(C=CC(=C1)Br)NC(=O)OCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848207