| SpectraBase Spectrum ID |
6UZxWzirQec |
| Name |
Methyl .alpha.-bromostearate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.197693429 u |
| Formula |
C19H37BrO2 |
| InChI |
InChI=1S/C19H37BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h18H,3-17H2,1-2H3 |
| InChIKey |
ZPTFWUBUFNGZPL-UHFFFAOYSA-N |
| Molecular Weight |
377.407 g/mol |
| SMILES |
C(Br)(C(OC)=O)CCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858996 |
