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

*Links on SpectraBase are not permalinks.
5-ACETYLIMINO-3,3-PENTAMETHYLEN-1,2,4-THIADIAZOLINE
SpectraBase Compound ID DAmSdkLWM2t
InChI InChI=1S/C9H15N3OS/c1-7(13)10-8-11-9(12-14-8)5-3-2-4-6-9/h12H,2-6H2,1H3,(H,10,11,13)
InChIKey JGGVVWJXSCPGSO-UHFFFAOYSA-N
Mol Weight 213.3 g/mol
Molecular Formula C9H15N3OS
Exact Mass 213.093583 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 KwfXTCJHiXi
Name 5-Acetylimino-3,3-pentamethylene-1,2,4-thiadiazoline
CAS Registry Number 117840-41-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H15N3OS
InChI InChI=1S/C9H15N3OS/c1-7(13)10-8-11-9(12-14-8)5-3-2-4-6-9/h12H,2-6H2,1H3,(H,10,11,13)
InChIKey JGGVVWJXSCPGSO-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference S. Andreae, E. Schmitz, J. Prakt. Chem. 329, 1008 (1987).
NMR Standard (CH3)6 Si2O
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6