| SpectraBase Spectrum ID |
2J3lH4OS2WV |
| Name |
1,3-Benzodioxole, 5-(1-butenyl)-, (E)-; 1-(trans-1-butenyl)-3,4-methylenedioxybenzene; benzene, 4-(1-butenyl)-1,2-(methylenedioxy)-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
176.083729624 u |
| Formula |
C11H12O2 |
| InChI |
InChI=1S/C11H12O2/c1-2-3-4-9-5-6-10-11(7-9)13-8-12-10/h3-7H,2,8H2,1H3/b4-3+ |
| InChIKey |
ZLMZMSBNIVMXHF-ONEGZZNKSA-N |
| Molecular Weight |
176.215 g/mol |
| SMILES |
C1(=CC2=C(C=C1)OCO2)\C=C\CC |
| Spectrum/Structure Validation Score (Raman) |
0.846408 |
