SpectraBase Spectrum ID |
HpVjwXD0rzS |
Name |
Ethyl 3-bromo-4-methylphenyl carbamate |
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/c1-3-14-10(13)12-8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3,(H,12,13) |
InChIKey |
DYPWYUYWKWJQQM-UHFFFAOYSA-N |
Molecular Weight |
258.115 g/mol |
SMILES |
C(NC=1C=C(Br)C(=CC1)C)(=O)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901598 |