| SpectraBase Spectrum ID |
KIjcejfI4fA |
| Name |
(2R,3R)-4-Methoxybenzoic acid 2,3-dihydroxyhex-5-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.115423675 u |
| Formula |
C14H18O5 |
| InChI |
InChI=1S/C14H18O5/c1-3-4-12(15)13(16)9-19-14(17)10-5-7-11(18-2)8-6-10/h3,5-8,12-13,15-16H,1,4,9H2,2H3/t12-,13-/m1/s1 |
| InChIKey |
MQGTWFNNDHBRFA-CHWSQXEVSA-N |
| Molecular Weight |
266.293 g/mol |
| SMILES |
C(OC[C@]([C@](O)(CC=C)[H])(O)[H])(C1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865089 |
