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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,8,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,8,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
SpectraBase Compound ID 6Ph7J7KI3d
InChI InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,14,18H,6,8-13H2,1-5H3
InChIKey FYMCALGMGRBJBH-UHFFFAOYSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L9jmLNzyfY5
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4A,5,8,9,10,10A-decahydro-1,4A-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4A.beta.,10A.alpha.)]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.240230268 u
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,14,18H,6,8-13H2,1-5H3
InChIKey FYMCALGMGRBJBH-UHFFFAOYSA-N
Molecular Weight 316.485 g/mol
SMILES C12C(CCCC2(C2=C(CC1)CC(C(C)C)=CC2)C)(C)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803358