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1-Propanone, 1-(2-hydroxyphenyl)-3-(4-nitrophenyl)-2-(phenylthio)-
SpectraBase Compound ID PoSrIpnktB
InChI InChI=1S/C21H17NO4S/c23-19-9-5-4-8-18(19)21(24)20(27-17-6-2-1-3-7-17)14-15-10-12-16(13-11-15)22(25)26/h1-13,20,23H,14H2
InChIKey YDXQPOLFKOMAOJ-UHFFFAOYSA-N
Mol Weight 379.43 g/mol
Molecular Formula C21H17NO4S
Exact Mass 379.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuoCtr3QWOH
Name 1-Propanone, 1-(2-hydroxyphenyl)-3-(4-nitrophenyl)-2-(phenylthio)-
CAS Registry Number 113093-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO4S
InChI InChI=1S/C21H17NO4S/c23-19-9-5-4-8-18(19)21(24)20(27-17-6-2-1-3-7-17)14-15-10-12-16(13-11-15)22(25)26/h1-13,20,23H,14H2
InChIKey YDXQPOLFKOMAOJ-UHFFFAOYSA-N
Molecular Weight 379.430 g/mol
SMILES Oc1c(C(C(Cc2ccc(N(=O)=O)cc2)Sc2ccccc2)=O)cccc1
SPLASH splash10-02mj-0920000000-351d458f1290db51ea6c
Source of Spectrum F-43-1832-8
Synonyms 1-(2-Hydroxyphenyl)-2-(phenylthio)-3-(4-nitro-phenyl)-1-propanone 1-(2-Hydroxyphenyl)-2-phenylthio-3-(4-nitrophenyl)-propan-1-one 1-(2-hydroxyphenyl)-3-(4-nitrophenyl)-2-(phenylsulfanyl)-1-propanone
Wiley ID 1359269