| SpectraBase Spectrum ID |
KGUsfMmdeEp |
| Name |
2-Benzocyclododecenecarboxylic acid, 1,5,6,7,8,9,10,11,12,13,14,14A-dodecahydro-, methyl ester, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.208930140 u |
| Formula |
C18H28O2 |
| InChI |
InChI=1S/C18H28O2/c1-20-18(19)17-13-12-15-10-8-6-4-2-3-5-7-9-11-16(15)14-17/h12-13,16H,2-11,14H2,1H3 |
| InChIKey |
WGEFJJXFCODKSW-UHFFFAOYSA-N |
| Molecular Weight |
276.420 g/mol |
| SMILES |
C1(=CC=C2C(C1)CCCCCCCCCC2)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817392 |
