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Acetic acid, 7-acetoxy-8-cyanomethyl-4a,7-dimethyl-tetradecahydrophenanthren-2-yl ester
SpectraBase Compound ID IJnE5KJZn06
InChI InChI=1S/C22H33NO4/c1-14(24)26-17-7-10-21(3)16(13-17)5-6-18-19(21)8-11-22(4,27-15(2)25)20(18)9-12-23/h16-20H,5-11,13H2,1-4H3
InChIKey KYQXZUDJQASEAP-UHFFFAOYSA-N
Mol Weight 375.5 g/mol
Molecular Formula C22H33NO4
Exact Mass 375.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzI2AEf6PxQ
Name ACETIC ACID, 7-ACETOXY-8-CYANOMETHYL-4A,7-DIMETHYL-TETRADECAHYDRO-PHENANTHREN-2-YL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H33NO4
InChI InChI=1S/C22H33NO4/c1-14(24)26-17-7-10-21(3)16(13-17)5-6-18-19(21)8-11-22(4,27-15(2)25)20(18)9-12-23/h16-20H,5-11,13H2,1-4H3
InChIKey KYQXZUDJQASEAP-UHFFFAOYSA-N
Molecular Weight 375.2401
SMILES C(OC1CCC2(C3CCC(C)(OC(=O)C)C(CC#N)C3CCC2C1)C)(=O)C
SPLASH splash10-0a4l-7960000000-7930c6388cf364acfc4c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany