| SpectraBase Spectrum ID |
GyCgHWt285R |
| Name |
Cyclohexanecarboxylic acid, 5-(1,1-dimethylethyl)-1-(4-methoxyphenyl)-2-oxo-, methyl ester, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.183109313 u |
| Formula |
C19H26O4 |
| InChI |
InChI=1S/C19H26O4/c1-18(2,3)14-8-11-16(20)19(12-14,17(21)23-5)13-6-9-15(22-4)10-7-13/h6-7,9-10,14H,8,11-12H2,1-5H3/t14-,19-/m0/s1 |
| InChIKey |
GOZKVKPYUNQYMR-LIRRHRJNSA-N |
| Molecular Weight |
318.413 g/mol |
| SMILES |
[C@@]1(C[C@@](C(C)(C)C)(CCC1=O)[H])(C(=O)OC)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906905 |
