| SpectraBase Spectrum ID |
2XM2Kx8vjs4 |
| Name |
(+)-corey lactone, 4-phenylbenzoate alcohol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.131073739 u |
| Formula |
C21H20O5 |
| InChI |
InChI=1S/C21H20O5/c22-12-17-16-10-20(23)25-18(16)11-19(17)26-21(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-19,22H,10-12H2/t16-,17-,18+,19-/m0/s1 |
| InChIKey |
SZJVIFMPKWMGSX-OKYOBFRVSA-N |
| Molecular Weight |
352.386 g/mol |
| SMILES |
[C@]12([C@]([C@](CO)([C@](C2)(OC(C2=CC=C(C=C2)C2=CC=CC=C2)=O)[H])[H])(CC(O1)=O)[H])[H] |
| Spectrum/Structure Validation Score (Raman) |
0.933014 |
