| SpectraBase Spectrum ID |
J3Uw5mGVfvr |
| Name |
1-Methoxy-4-(3-methyl-trans-1-butenyl)benzene; benzene, 1-methoxy-4-(3-methyl-1-butenyl)-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
176.120115134 u |
| Formula |
C12H16O |
| InChI |
InChI=1S/C12H16O/c1-10(2)4-5-11-6-8-12(13-3)9-7-11/h4-10H,1-3H3/b5-4+ |
| InChIKey |
FWZMAJUTNQOIEX-SNAWJCMRSA-N |
| Molecular Weight |
176.259 g/mol |
| SMILES |
C1(=CC=C(C=C1)\C=C\C(C)C)OC |
| Spectrum/Structure Validation Score (Raman) |
0.992592 |