SpectraBase Spectrum ID |
GEpFTnWh0w3 |
Name |
1-Naphthalenepentanoic acid, 1,4,4A,5,6,7,8,8A-octahydro-.beta.,2,5,5,8A-pentamethyl-, methyl ester, [1S-[1.alpha.(R*),4A.beta.,8A.alpha.]]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
320.271530397 u |
Formula |
C21H36O2 |
InChI |
InChI=1S/C21H36O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h9,15,17-18H,7-8,10-14H2,1-6H3 |
InChIKey |
LWPPDVAQDDYKML-UHFFFAOYSA-N |
Molecular Weight |
320.517 g/mol |
SMILES |
C12(C)C(C(C)(C)CCC2)CC=C(C1CCC(CC(OC)=O)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980448 |