| SpectraBase Spectrum ID |
Hs9Pwn8rFN5 |
| Name |
2,3-Dihydro-7-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-4H-1-benzopyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.156894565 u |
| Formula |
C21H22O3 |
| InChI |
InChI=1S/C21H22O3/c1-14(2)9-10-17-19(23-3)12-11-16-18(22)13-20(24-21(16)17)15-7-5-4-6-8-15/h4-9,11-12,20H,10,13H2,1-3H3 |
| InChIKey |
VQBWFYNSXWMURP-UHFFFAOYSA-N |
| Molecular Weight |
322.404 g/mol |
| SMILES |
C1(OC=2C(C(C1)=O)=CC=C(C2CC=C(C)C)OC)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828948 |
