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4-[(2-Anilinoethyl)sulfanyl]-3-nitro-2H-chromen-2-one
SpectraBase Compound ID AySEd6IC677
InChI InChI=1S/C17H14N2O4S/c20-17-15(19(21)22)16(13-8-4-5-9-14(13)23-17)24-11-10-18-12-6-2-1-3-7-12/h1-9,18H,10-11H2
InChIKey SVFWJAZZINRFCY-UHFFFAOYSA-N
Mol Weight 342.37 g/mol
Molecular Formula C17H14N2O4S
Exact Mass 342.067428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IptwFPrCH3q
Name 4-[(2-Anilinoethyl)sulfanyl]-3-nitro-2H-chromen-2-one
CAS Registry Number 184581-65-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O4S
InChI InChI=1S/C17H14N2O4S/c20-17-15(19(21)22)16(13-8-4-5-9-14(13)23-17)24-11-10-18-12-6-2-1-3-7-12/h1-9,18H,10-11H2
InChIKey SVFWJAZZINRFCY-UHFFFAOYSA-N
Molecular Weight 342.369 g/mol
SMILES N(CCSC1=C(C(Oc2ccccc12)=O)N(=O)=O)c1ccccc1
SPLASH splash10-0a4i-6900000000-569be0092bdde6f522aa
Source of Spectrum AD-0-2532-0
Synonyms 3-Nitro-4-(2-phenylazanylethylsulfanyl)chromen-2-one 4-(2-anilinoethylsulfanyl)-3-nitro-chromen-2-one 4-(2-anilinoethylthio)-3-nitro-1-benzopyran-2-one 4-(2-anilinoethylthio)-3-nitro-coumarin Cumarin, 3-nitro-4-(2-phenylamino)ethylthio-
Wiley ID 1423725