| SpectraBase Spectrum ID |
7VYEH81Aosk |
| Name |
Sarcosine, N-(3-bromobenzoyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.015706312 u |
| Formula |
C12H14BrNO3 |
| InChI |
InChI=1S/C12H14BrNO3/c1-3-17-11(15)8-14(2)12(16)9-5-4-6-10(13)7-9/h4-7H,3,8H2,1-2H3 |
| InChIKey |
OZECLKHTCCASLT-UHFFFAOYSA-N |
| Molecular Weight |
300.152 g/mol |
| SMILES |
C1=CC=C(C=C1C(N(CC(OCC)=O)C)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845573 |
