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

*Links on SpectraBase are not permalinks.
1-Methylheptyl 4-nitrobenzoate
SpectraBase Compound ID 74e3qnZYlNi
InChI InChI=1S/C15H21NO4/c1-3-4-5-6-7-12(2)20-15(17)13-8-10-14(11-9-13)16(18)19/h8-12H,3-7H2,1-2H3/i12D
InChIKey BGMDLHOQWYCYBI-UQBWLURTSA-N
Mol Weight 280.34 g/mol
Molecular Formula C15H20DNO4
Exact Mass 280.153335 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 BLBR1RZjKm5
Name 4-Nitro-benzoic acid, 1-deuterio1-methyl-heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20DNO4
InChI InChI=1S/C15H21NO4/c1-3-4-5-6-7-12(2)20-15(17)13-8-10-14(11-9-13)16(18)19/h8-12H,3-7H2,1-2H3/i12D
InChIKey BGMDLHOQWYCYBI-UQBWLURTSA-N
Molecular Weight 280.342 g/mol
SMILES c1([N+]([O-])=O)ccc(C(OC([D])(CCCCCC)C)=O)cc1
SPLASH splash10-0udl-9500000000-fcca20efe9fe528eb7d2
Synonyms 1-Deuterio 1-methylheptyl 4-nitrobenzoate 4-Nitrobenzoic acid 1-deuterio 1-methylheptyl ester
Wiley ID 1484258