| SpectraBase Spectrum ID |
Jt6PnoPYWzA |
| Name |
Methyl 6-(2'-methoxyphenyl)-4-methylcyclohexa-1,4-diene-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.125594437 u |
| Formula |
C16H18O3 |
| InChI |
InChI=1S/C16H18O3/c1-11-8-9-13(16(17)19-3)14(10-11)12-6-4-5-7-15(12)18-2/h4-7,9-10,14H,8H2,1-3H3 |
| InChIKey |
VATRGAZPRYMPBT-UHFFFAOYSA-N |
| Molecular Weight |
258.317 g/mol |
| SMILES |
C=1C=C(C2C=C(CC=C2C(=O)OC)C)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873955 |
