| SpectraBase Spectrum ID |
HwNWSGOb814 |
| Name |
Succinic acid, 5-bromo-2-methoxybenzyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.057236771 u |
| Formula |
C16H21BrO5 |
| InChI |
InChI=1S/C16H21BrO5/c1-11(2)9-21-15(18)6-7-16(19)22-10-12-8-13(17)4-5-14(12)20-3/h4-5,8,11H,6-7,9-10H2,1-3H3 |
| InChIKey |
GSNDJAMQHFHZHB-UHFFFAOYSA-N |
| Molecular Weight |
373.243 g/mol |
| SMILES |
C(CCC(OCC=1C(OC)=CC=C(Br)C1)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870536 |
