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(4-methylcyclohexyl) 4-(1-adamantylmethylamino)-4-oxidanylidene-butanoate
SpectraBase Compound ID JBBxT3xkZFl
InChI InChI=1S/C22H35NO3/c1-15-2-4-19(5-3-15)26-21(25)7-6-20(24)23-14-22-11-16-8-17(12-22)10-18(9-16)13-22/h15-19H,2-14H2,1H3,(H,23,24)/t15?,16-,17+,18-,19?,22-
InChIKey ACHKTUILVFGVMR-SXANAZMNSA-N
Mol Weight 361.5 g/mol
Molecular Formula C22H35NO3
Exact Mass 361.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1MhTcwLSIy
Name (4-methylcyclohexyl) 4-(1-adamantylmethylamino)-4-oxidanylidene-butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35NO3
InChI InChI=1S/C22H35NO3/c1-15-2-4-19(5-3-15)26-21(25)7-6-20(24)23-14-22-11-16-8-17(12-22)10-18(9-16)13-22/h15-19H,2-14H2,1H3,(H,23,24)/t15?,16-,17+,18-,19?,22-
InChIKey ACHKTUILVFGVMR-SXANAZMNSA-N
Molecular Weight 361.526 g/mol
SMILES N(C(=O)CCC(OC1CCC(CC1)C)=O)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-000i-9500000000-058bb5baed5953cf3e83
Synonyms 4-(1-adamantylmethylamino)-4-keto-butyric acid (4-methylcyclohexyl) ester 4-(1-adamantylmethylamino)-4-oxobutanoic acid (4-methylcyclohexyl) ester Butanoic acid, 4-oxo-4-[(tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl)amino]-, 4-methylcyclohexyl ester (4-methylcyclohexyl) 4-(1-adamantylmethylamino)-4-oxobutanoate
Wiley ID 1449269