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Pentanoic acid, 5-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-5-oxo-, 4-(1,1-dimethylethyl)cyclohexyl ester

View entire compound with spectra: 1 MS (GC)

Pentanoic acid, 5-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-5-oxo-, 4-(1,1-dimethylethyl)cyclohexyl ester
SpectraBase Compound ID HC0X6ZDIDs5
InChI InChI=1S/C23H32N2O3S/c1-23(2,3)15-10-12-16(13-11-15)28-21(27)9-5-8-20(26)25-22-18(14-24)17-6-4-7-19(17)29-22/h15-16H,4-13H2,1-3H3,(H,25,26)
InChIKey ZCQZVDWGCYQFNP-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C23H32N2O3S
Exact Mass 416.213364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jwcu2VNVzL1
Name Pentanoic acid, 5-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-5-oxo-, 4-(1,1-dimethylethyl)cyclohexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32N2O3S
InChI InChI=1S/C23H32N2O3S/c1-23(2,3)15-10-12-16(13-11-15)28-21(27)9-5-8-20(26)25-22-18(14-24)17-6-4-7-19(17)29-22/h15-16H,4-13H2,1-3H3,(H,25,26)
InChIKey ZCQZVDWGCYQFNP-UHFFFAOYSA-N
Molecular Weight 416.580 g/mol
SMILES N(C(=O)CCCC(=O)OC1CCC(CC1)C(C)(C)C)c1c(c2c(s1)CCC2)C#N
SPLASH splash10-08fr-9600000000-74ceaefe4d47c9a94295
Source of Spectrum IY-1-4694-3
Synonyms 5-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-5-oxopentanoic acid (4-tert-butylcyclohexyl) ester (4-tert-butylcyclohexyl) 5-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-5-oxopentanoate (4-tert-butylcyclohexyl) 5-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-5-oxo-pentanoate (4-tert-butylcyclohexyl) 5-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-5-oxidanylidene-pentanoate
Wiley ID 1654926