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

*Links on SpectraBase are not permalinks.

1-(Cyanoacetyl)-5-hydroxy-3-propyl-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1-(Cyanoacetyl)-5-hydroxy-3-propyl-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID FA9PsImUKS8
InChI InChI=1S/C10H12Cl3N3O2/c1-2-3-7-6-9(18,10(11,12)13)16(15-7)8(17)4-5-14/h18H,2-4,6H2,1H3
InChIKey FXLVWIJEBZHWQJ-UHFFFAOYSA-N
Mol Weight 312.58 g/mol
Molecular Formula C10H12Cl3N3O2
Exact Mass 310.99951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 1GuVQk3JJyf
Name 1-(Cyanoacetyl)-5-hydroxy-3-propyl-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12Cl3N3O2
InChI InChI=1S/C10H12Cl3N3O2/c1-2-3-7-6-9(18,10(11,12)13)16(15-7)8(17)4-5-14/h18H,2-4,6H2,1H3
InChIKey FXLVWIJEBZHWQJ-UHFFFAOYSA-N
Molecular Weight 312.584 g/mol
SMILES OC1(N(N=C(C1)CCC)C(CC#N)=O)C(Cl)(Cl)Cl
SPLASH splash10-03di-1900000000-ed2a53932e9ecb2913da
Source of Spectrum AH-139-1053-6f
Wiley ID 1695751