| SpectraBase Spectrum ID |
73oWyt3jzgK |
| Name |
2,3-Trans-7,4'-dimethoxyflavan-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.120509056 u |
| Formula |
C17H18O4 |
| InChI |
InChI=1S/C17H18O4/c1-19-13-6-3-11(4-7-13)17-15(18)9-12-5-8-14(20-2)10-16(12)21-17/h3-8,10,15,17-18H,9H2,1-2H3/t15-,17+/m0/s1 |
| InChIKey |
UAZVYJFUSBJXNA-DOTOQJQBSA-N |
| SMILES |
C=12O[C@@]([C@](CC2=CC=C(C1)OC)(O)[H])(C1=CC=C(C=C1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951702 |
