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Isopropyl 2-(benzoylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Isopropyl 2-(benzoylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thiophene-3-carboxylate
SpectraBase Compound ID 4TVyQriP9w5
InChI InChI=1S/C25H33NO3S/c1-18(2)29-25(28)22-20-16-12-7-5-3-4-6-8-13-17-21(20)30-24(22)26-23(27)19-14-10-9-11-15-19/h9-11,14-15,18H,3-8,12-13,16-17H2,1-2H3,(H,26,27)
InChIKey NIVNQCMCOLDZAL-UHFFFAOYSA-N
Mol Weight 427.6 g/mol
Molecular Formula C25H33NO3S
Exact Mass 427.218115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1sT4AcJDg6o
Name Isopropyl 2-(benzoylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.218115098 u
Formula C25H33NO3S
InChI InChI=1S/C25H33NO3S/c1-18(2)29-25(28)22-20-16-12-7-5-3-4-6-8-13-17-21(20)30-24(22)26-23(27)19-14-10-9-11-15-19/h9-11,14-15,18H,3-8,12-13,16-17H2,1-2H3,(H,26,27)
InChIKey NIVNQCMCOLDZAL-UHFFFAOYSA-N
Molecular Weight 427.603 g/mol
SMILES N(C1=C(C(OC(C)C)=O)C2=C(CCCCCCCCCC2)S1)C(=O)C=1C=CC=CC1