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Acetic acid, 8-(2-cyanoethyl)-1,1,4a,7-tetramethyl-9-oxo-1,2,3,4,4a,4b,5,8,8a,9-decahydro-phenanthren-2-yl ester
SpectraBase Compound ID LJsLQ0i7bUl
InChI InChI=1S/C23H31NO3/c1-14-8-9-17-21(16(14)7-6-12-24)18(26)13-19-22(3,4)20(27-15(2)25)10-11-23(17,19)5/h8,13,16-17,20-21H,6-7,9-11H2,1-5H3
InChIKey BILLNZABSIFFCV-UHFFFAOYSA-N
Mol Weight 369.51 g/mol
Molecular Formula C23H31NO3
Exact Mass 369.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gx0clnx6Y3T
Name ACETIC ACID, 8-(2-CYANO-ETHYL)-1,1,4A,7-TETRAMETHYL-9-OXO-1,2,3,4,4A,4B,5,8,8A,9-DECAHYDRO-PHENANTHREN-2-YL ESTER
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Formula C23H31NO3
InChI InChI=1S/C23H31NO3/c1-14-8-9-17-21(16(14)7-6-12-24)18(26)13-19-22(3,4)20(27-15(2)25)10-11-23(17,19)5/h8,13,16-17,20-21H,6-7,9-11H2,1-5H3
InChIKey BILLNZABSIFFCV-UHFFFAOYSA-N
Molecular Weight 369.2296
SMILES C(=O)(C)OC1C(C)(C)C2=CC(=O)C3C(CCC#N)C(=CCC3C2(C)CC1)C
SPLASH splash10-014l-5934000000-e42b7ccbfd867e7f52e8
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany