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

*Links on SpectraBase are not permalinks.
1,3-Pentanedione, 2-(2-nitropropyl)-1-phenyl-
SpectraBase Compound ID DXHkyWDubyX
InChI InChI=1S/C14H17NO4/c1-3-13(16)12(9-10(2)15(18)19)14(17)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKey MRGXNKNJJRCSJO-UHFFFAOYSA-N
Mol Weight 263.29 g/mol
Molecular Formula C14H17NO4
Exact Mass 263.115758 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 7RH2M6UPqZQ
Name 1,3-Pentanedione, 2-(2-nitropropyl)-1-phenyl-
CAS Registry Number 80213-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO4
InChI InChI=1S/C14H17NO4/c1-3-13(16)12(9-10(2)15(18)19)14(17)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKey MRGXNKNJJRCSJO-UHFFFAOYSA-N
Molecular Weight 263.293 g/mol
SMILES C(N(=O)=O)(CC(C(=O)c1ccccc1)C(=O)CC)C
SPLASH splash10-0a4i-4900000000-6463d731f8776a766069
Source of Spectrum H-64-1861-0
Synonyms 2-(2-Nitropropyl)-1-phenyl-1,3-pentandione 2-(2-nitropropyl)-1-phenyl-1,3-pentanedione
Wiley ID 1266843