| SpectraBase Spectrum ID |
GAq04do9C7h |
| Name |
(+)-(2S)-6,7-methylenedioxy-2-(3,4-dimethoxyphenyl)-3,4-dihydronaphthalene-1(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.115423675 u |
| Formula |
C19H18O5 |
| InChI |
InChI=1S/C19H18O5/c1-21-15-6-4-11(7-16(15)22-2)13-5-3-12-8-17-18(24-10-23-17)9-14(12)19(13)20/h4,6-9,13H,3,5,10H2,1-2H3/t13-/m0/s1 |
| InChIKey |
QDPCGSFBFKQHLN-ZDUSSCGKSA-N |
| Molecular Weight |
326.348 g/mol |
| SMILES |
C1(C2=C(C=C3C(=C2)OCO3)CC[C@]1(C=1C=C(OC)C(=CC1)OC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874837 |
