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

*Links on SpectraBase are not permalinks.

Perhydro-phyrotoxin

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Perhydro-phyrotoxin
SpectraBase Compound ID SITmbuyiqb
InChI InChI=1S/C19H35NO/c1-2-3-4-6-15-7-5-8-19-18(15)12-11-16-9-10-17(13-14-21)20(16)19/h15-19,21H,2-14H2,1H3
InChIKey HTKBYBVWXZGWBV-UHFFFAOYSA-N
Mol Weight 293.5 g/mol
Molecular Formula C19H35NO
Exact Mass 293.271865 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 9aR1pxPpCdl
Name Perhydro-phyrotoxin
CAS Registry Number 63983-59-5
Comments SHIFTCORRECTION: -0.6 PPM, REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H35NO
InChI InChI=1S/C19H35NO/c1-2-3-4-6-15-7-5-8-19-18(15)12-11-16-9-10-17(13-14-21)20(16)19/h15-19,21H,2-14H2,1H3
InChIKey HTKBYBVWXZGWBV-UHFFFAOYSA-N
Literature Reference L.E. Overman, C. Fukaya, J. Am. Chem. Soc. 102, 1454 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Benzene-D6