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Benzenemethanol,.alpha.-[(4-nitrophenyl)methylene]-, benzoate (ester)
SpectraBase Compound ID wJTle4u2aE
InChI InChI=1S/C21H15NO4/c23-21(18-9-5-2-6-10-18)26-20(17-7-3-1-4-8-17)15-16-11-13-19(14-12-16)22(24)25/h1-15H/b20-15+
InChIKey MNJIEONLHWYRPN-HMMYKYKNSA-N
Mol Weight 345.35 g/mol
Molecular Formula C21H15NO4
Exact Mass 345.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mlxxUKTeCq
Name Benzenemethanol,.alpha.-[(4-nitrophenyl)methylene]-, benzoate (ester)
CAS Registry Number 90013-78-8
Comments Less than 3 mono-isotopic peaks
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Formula C21H15NO4
InChI InChI=1S/C21H15NO4/c23-21(18-9-5-2-6-10-18)26-20(17-7-3-1-4-8-17)15-16-11-13-19(14-12-16)22(24)25/h1-15H/b20-15+
InChIKey MNJIEONLHWYRPN-HMMYKYKNSA-N
Molecular Weight 345.354 g/mol
SMILES c1(N(=O)=O)ccc(\C=C/(OC(=O)c2ccccc2)c2ccccc2)cc1
SPLASH splash10-0a4i-0900000000-a7708ef7c26f592676b5
Source of Spectrum K-117-1037-0
Synonyms (E)-2-(4-nitrophenyl)-1-phenylethenyl benzoate [2-(4-nitrophenyl)-1-phenylethenyl]ester of benzoic acid
Wiley ID 1338744