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

*Links on SpectraBase are not permalinks.
3-Nitro-1-(thiophen-2-yl)pent-3-en-1-one
SpectraBase Compound ID Dh4jHJ91g8Z
InChI InChI=1S/C9H9NO3S/c1-2-7(10(12)13)6-8(11)9-4-3-5-14-9/h2-5H,6H2,1H3
InChIKey LOVGZFFTMZPFJL-UHFFFAOYSA-N
Mol Weight 211.23 g/mol
Molecular Formula C9H9NO3S
Exact Mass 211.030314 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 8jWtHAOPbNm
Name 3-Nitro-1-(thiophen-2-yl)pent-3-en-1-one
Appearance Pink solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO3S
InChI InChI=1S/C9H9NO3S/c1-2-7(10(12)13)6-8(11)9-4-3-5-14-9/h2-5H,6H2,1H3
InChIKey LOVGZFFTMZPFJL-UHFFFAOYSA-N
Instrument Name Hewlett Packard 6890N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000747
Molecular Weight 211.235 g/mol
SMILES C(CC(=CC)[N+](=O)[O-])(=O)c1cccs1
SPLASH splash10-03di-1900000000-90075b10b13448c4677c
Sample Comments E/Z = 90:10
Source of Spectrum ASC-362-4685-2j
Wiley ID 1855605