| SpectraBase Spectrum ID |
4LIu7wxc1jt |
| Name |
Methyl 2-methoxycarbonyl-4-methyl-2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)-3-pentenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.167459249 u |
| Formula |
C20H24O4 |
| InChI |
InChI=1S/C20H24O4/c1-13(2)12-20(17(21)23-5,18(22)24-6)16-15(19(16,3)4)14-10-8-7-9-11-14/h7-12H,1-6H3 |
| InChIKey |
NZJOCXCYYLASFY-UHFFFAOYSA-N |
| Molecular Weight |
328.408 g/mol |
| SMILES |
C(C(C=C(C)C)(C1=C(C1(C)C)C=1C=CC=CC1)C(=O)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974479 |
