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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1-methyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-

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

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1-methyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-
SpectraBase Compound ID hH6ESNMyMw
InChI InChI=1S/C17H22O2/c1-17(16(18)19-2)11-5-8-14-13-7-4-3-6-12(13)9-10-15(14)17/h3-4,6-7,14-15H,5,8-11H2,1-2H3
InChIKey VXFCZVWTMNUKPQ-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LU1QvztlmX9
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4A,9,10,10A-octahydro-1-methyl-, methyl ester, [1S-(1.alpha.,4A.alpha.,10A.beta.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.161979946 u
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-17(16(18)19-2)11-5-8-14-13-7-4-3-6-12(13)9-10-15(14)17/h3-4,6-7,14-15H,5,8-11H2,1-2H3
InChIKey VXFCZVWTMNUKPQ-UHFFFAOYSA-N
Molecular Weight 258.361 g/mol
SMILES C(OC)(=O)C1(C)C2C(C3=C(CC2)C=CC=C3)CCC1