| SpectraBase Spectrum ID |
9WdHQIB8EUC |
| Name |
(2R,4S)-4-(4-Methoxyphenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromen-2-yl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.131073739 u |
| Formula |
C18H20O5 |
| InChI |
InChI=1S/C18H20O5/c1-11(19)22-17-10-14(12-6-8-13(21-2)9-7-12)18-15(20)4-3-5-16(18)23-17/h6-9,14,17H,3-5,10H2,1-2H3/t14-,17-/m0/s1 |
| InChIKey |
JFTULMNPPZUXAX-YOEHRIQHSA-N |
| Molecular Weight |
316.353 g/mol |
| SMILES |
C12=C(O[C@@](C[C@]2(C=2C=CC(=CC2)OC)[H])(OC(=O)C)[H])CCCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858626 |
