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

*Links on SpectraBase are not permalinks.
Benzoic acid, 4-fluoro-3-nitro-, 2,4-bis(1,1-dimethylpropyl)phenyl ester
SpectraBase Compound ID 6sBw1q36XK0
InChI InChI=1S/C29H23NO/c1-31-25-19-17-22(18-20-25)27-26(21-11-5-2-6-12-21)28(23-13-7-3-8-14-23)30-29(27)24-15-9-4-10-16-24/h2-20,26H,1H3
InChIKey OKWRAWNDGKACEG-UHFFFAOYSA-N
Mol Weight 401.51 g/mol
Molecular Formula C29H23NO
Exact Mass 401.177964 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 EEfjZ96d2Cs
Name Benzoic acid, 4-fluoro-3-nitro-, 2,4-bis(1,1-dimethylpropyl)phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H23NO
InChI InChI=1S/C29H23NO/c1-31-25-19-17-22(18-20-25)27-26(21-11-5-2-6-12-21)28(23-13-7-3-8-14-23)30-29(27)24-15-9-4-10-16-24/h2-20,26H,1H3
InChIKey OKWRAWNDGKACEG-UHFFFAOYSA-N
Molecular Weight 401.509 g/mol
SMILES COc1ccc(cc1)C1=C(N=C(c2ccccc2)C1c1ccccc1)c1ccccc1
SPLASH splash10-0udi-0221900000-9347a3e41d39e2e474d8
Source of Spectrum JX-2015-4-13
Synonyms 4-(4-Methoxyphenyl)-2,3,5-triphenyl-3H-pyrrole 2,4-Bis(2-methylbutan-2-yl)phenyl 4-fluoro-3-nitrobenzoate
Wiley ID 1725471