| SpectraBase Spectrum ID |
AtnS6ULpvAU |
| Name |
(E,5R)-5-Hydroxy-6-phenylmethoxy-3-hexenoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c1-17-14(16)9-5-8-13(15)11-18-10-12-6-3-2-4-7-12/h2-8,13,15H,9-11H2,1H3/b8-5+/t13-/m1/s1 |
| InChIKey |
HNRXCQPHFUYKBY-OQHXTRMZSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
C(=O)(OC)C\C=C\[C@@](O)(COCC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888166 |
