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Benzenepropanoic acid, 2-isocyano-, cholest-5-en-3-yl ester

View entire compound with spectra: 3 MS (GC)

Benzenepropanoic acid, 2-isocyano-, cholest-5-en-3-yl ester
SpectraBase Compound ID 6PYiwgNzdBH
InChI InChI=1S/C37H53NO2/c1-25(2)11-10-12-26(3)31-17-18-32-30-16-15-28-24-29(19-21-36(28,4)33(30)20-22-37(31,32)5)40-35(39)34(38-6)23-27-13-8-7-9-14-27/h7-9,13-15,25-26,29-34H,10-12,16-24H2,1-5H3
InChIKey BPLHWQAJXQFVKT-UHFFFAOYSA-N
Mol Weight 543.8 g/mol
Molecular Formula C37H53NO2
Exact Mass 543.40763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 482bY7awMbJ
Name
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Formula C37H53NO2
InChI InChI=1S/C37H53NO2/c1-25(2)11-10-12-26(3)31-17-18-32-30-16-15-28-24-29(19-21-36(28,4)33(30)20-22-37(31,32)5)40-35(39)34(38-6)23-27-13-8-7-9-14-27/h7-9,13-15,25-26,29-34H,10-12,16-24H2,1-5H3
InChIKey BPLHWQAJXQFVKT-UHFFFAOYSA-N
Molecular Weight 543.4063
SMILES C1(OC(C(Cc2ccccc2)[N+]#[C-])=O)CC2=CCC3C4CCC(C(CCCC(C)C)C)C4(C)CCC3C2(C)CC1
SPLASH splash10-014i-4739000000-cfcc155f5bcdf4eb94de
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany