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6-Methyl-2-(3-nitrophenyl)-1-benzothiopyran-4-one
SpectraBase Compound ID LA7iUUrhIFL
InChI InChI=1S/C16H11NO3S/c1-10-5-6-15-13(7-10)14(18)9-16(21-15)11-3-2-4-12(8-11)17(19)20/h2-9H,1H3
InChIKey HDWOTIHJPNEUOP-UHFFFAOYSA-N
Mol Weight 297.33 g/mol
Molecular Formula C16H11NO3S
Exact Mass 297.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxHFEWEnE4R
Name 6-Methyl-2-(3-nitrophenyl)-1-benzothiopyran-4-one
Alternate Name(s) 6-Methyl-2-(3-nitrophenyl)thiochromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11NO3S
InChI InChI=1S/C16H11NO3S/c1-10-5-6-15-13(7-10)14(18)9-16(21-15)11-3-2-4-12(8-11)17(19)20/h2-9H,1H3
InChIKey HDWOTIHJPNEUOP-UHFFFAOYSA-N
Molecular Weight 297.328 g/mol
SMILES C=1(Sc2ccc(cc2C(C1)=O)C)c1cc(N(=O)=O)ccc1
SPLASH splash10-0002-0190000000-bcc5f90151cda2743194
Source of Spectrum F2-4-4349-2
Wiley ID 1600465