For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-piperidinecarbothioamide, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-N-[3-(4-morpholinyl)propyl]-

View entire compound with spectra: 2 NMR

1-piperidinecarbothioamide, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-N-[3-(4-morpholinyl)propyl]-
SpectraBase Compound ID GHLl6bEKhOU
InChI InChI=1S/C27H33ClN4OS/c28-23-6-7-24-22(19-23)5-4-21-3-1-10-29-26(21)25(24)20-8-13-32(14-9-20)27(34)30-11-2-12-31-15-17-33-18-16-31/h1,3,6-7,10,19H,2,4-5,8-9,11-18H2,(H,30,34)
InChIKey BHAHYCKGVPNOIF-UHFFFAOYSA-N
Mol Weight 497.1 g/mol
Molecular Formula C27H33ClN4OS
Exact Mass 496.206361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KTObWSbGKO8
Name 1-Piperidinecarbothioamide, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-B]pyridin-11-ylidene)-N-[3-(4-morpholinyl)propyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.206360572 u
Formula C27H33ClN4OS
InChI InChI=1S/C27H33ClN4OS/c28-23-6-7-24-22(19-23)5-4-21-3-1-10-29-26(21)25(24)20-8-13-32(14-9-20)27(34)30-11-2-12-31-15-17-33-18-16-31/h1,3,6-7,10,19H,2,4-5,8-9,11-18H2,(H,30,34)
InChIKey BHAHYCKGVPNOIF-UHFFFAOYSA-N
Molecular Weight 497.101 g/mol
SMILES N(C(N1CCC(=C2C3=C(C=C(C=C3)Cl)CCC3=C2N=CC=C3)CC1)=S)CCCN1CCOCC1