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

View entire compound with spectra: 1 NMR

1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4A,9,10,10A-octahydro-1,4A-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4A.beta.,10A.alpha.)]-
SpectraBase Compound ID HbsGyiQLxfO
InChI InChI=1S/C21H29ClO2/c1-13(2)14-7-9-16-15(18(14)22)8-10-17-20(16,3)11-6-12-21(17,4)19(23)24-5/h7,9,13,17H,6,8,10-12H2,1-5H3
InChIKey QZYLMXNEIFCMMG-UHFFFAOYSA-N
Mol Weight 348.91 g/mol
Molecular Formula C21H29ClO2
Exact Mass 348.185608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CkZb12C7FVA
Name 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4A,9,10,10A-octahydro-1,4A-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4A.beta.,10A.alpha.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.185607872 u
Formula C21H29ClO2
InChI InChI=1S/C21H29ClO2/c1-13(2)14-7-9-16-15(18(14)22)8-10-17-20(16,3)11-6-12-21(17,4)19(23)24-5/h7,9,13,17H,6,8,10-12H2,1-5H3
InChIKey QZYLMXNEIFCMMG-UHFFFAOYSA-N
Molecular Weight 348.914 g/mol
SMILES C1CCC2(C(C1(C)C(OC)=O)CCC1=C2C=CC(=C1Cl)C(C)C)C