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Benzoic acid, 4-nitro-, (10-oxo-9-[(phenylsulfanyl)methyl]tricylco[4.2.1.1(2,5)]deca-3,7-diene-9-yl) ester
SpectraBase Compound ID 4f6GiWHM3L0
InChI InChI=1S/C24H19NO5S/c26-22-18-10-11-19(22)21-13-12-20(18)24(21,14-31-17-4-2-1-3-5-17)30-23(27)15-6-8-16(9-7-15)25(28)29/h1-13,18-21H,14H2/t18-,19+,20+,21-,24+
InChIKey ICERLJCJWHGVBI-UHFFFAOYSA-N
Mol Weight 433.48 g/mol
Molecular Formula C24H19NO5S
Exact Mass 433.098394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHYt2MvoRwo
Name Benzoic acid, 4-nitro-, (10-oxo-9-[(phenylsulfanyl)methyl]tricylco[4.2.1.1(2,5)]deca-3,7-diene-9-yl) ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19NO5S
InChI InChI=1S/C24H19NO5S/c26-22-18-10-11-19(22)21-13-12-20(18)24(21,14-31-17-4-2-1-3-5-17)30-23(27)15-6-8-16(9-7-15)25(28)29/h1-13,18-21H,14H2/t18-,19+,20+,21-,24+
InChIKey ICERLJCJWHGVBI-UHFFFAOYSA-N
Molecular Weight 433.478 g/mol
SMILES [C@@]12([C@]3([C@]([C@@]([C@@](C2=O)(C=C1)[H])(C=C3)[H])(CSc1ccccc1)OC(=O)c1ccc(cc1)N(=O)=O)[H])[H]
SPLASH splash10-0uk9-2900000000-62382baaeffd897f1967
Wiley ID 1478512