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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.]]-
SpectraBase Compound ID 4iPzzJOtjTG
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
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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