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4-tert-Butylcyclohexyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
SpectraBase Compound ID Hbuu2yobhAb
InChI InChI=1S/C21H28N2O3S/c1-21(2,3)14-8-10-15(11-9-14)26-19(25)13-12-18(24)23-20-22-16-6-4-5-7-17(16)27-20/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24)
InChIKey AXRGCFGEBBFZFY-UHFFFAOYSA-N
Mol Weight 388.53 g/mol
Molecular Formula C21H28N2O3S
Exact Mass 388.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLImiAzHUFI
Name 4-tert-Butylcyclohexyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O3S
InChI InChI=1S/C21H28N2O3S/c1-21(2,3)14-8-10-15(11-9-14)26-19(25)13-12-18(24)23-20-22-16-6-4-5-7-17(16)27-20/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24)
InChIKey AXRGCFGEBBFZFY-UHFFFAOYSA-N
Molecular Weight 388.526 g/mol
SMILES N(c1nc2ccccc2s1)C(=O)CCC(OC1CCC(C(C)(C)C)CC1)=O
SPLASH splash10-0udi-3900000000-875cd6814b5849383c26
Synonyms (4-tert-butylcyclohexyl) 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate 4-(1,3-benzothiazol-2-ylamino)-4-keto-butyric acid (4-tert-butylcyclohexyl) ester 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoic acid (4-tert-butylcyclohexyl) ester N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester (4-tert-butylcyclohexyl) 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
Wiley ID 1466037