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

*Links on SpectraBase are not permalinks.
Benzoic acid, 4-nitro-,(3-methyl-2-penten-4-ynyl)ester
SpectraBase Compound ID IuC4wVDgOGi
InChI InChI=1S/C13H11NO4/c1-3-10(2)8-9-18-13(15)11-4-6-12(7-5-11)14(16)17/h1,4-8H,9H2,2H3/b10-8+
InChIKey FLMYHVSFKWERSE-CSKARUKUSA-N
Mol Weight 245.23 g/mol
Molecular Formula C13H11NO4
Exact Mass 245.068808 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 w80zdeIwwf
Name Benzoic acid, 4-nitro-,(3-methyl-2-penten-4-ynyl)ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO4
InChI InChI=1S/C13H11NO4/c1-3-10(2)8-9-18-13(15)11-4-6-12(7-5-11)14(16)17/h1,4-8H,9H2,2H3/b10-8+
InChIKey FLMYHVSFKWERSE-CSKARUKUSA-N
Molecular Weight 245.234 g/mol
SMILES C(\C(C)=C\COC(=O)c1ccc(cc1)N(=O)=O)#C
SPLASH splash10-0udj-9800000000-e2447ee6a0365a629d98
Synonyms (2E)-3-Methyl-2-penten-4-ynyl 4-nitrobenzoate [(E)-3-methylpent-2-en-4-ynyl] 4-nitrobenzoate
Wiley ID 1478435