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3-(chloromethyl)-2-(4-nitrophenyl)-1-benzothiopyran-4-one
SpectraBase Compound ID DpKeORaweyU
InChI InChI=1S/C16H10ClNO3S/c17-9-13-15(19)12-3-1-2-4-14(12)22-16(13)10-5-7-11(8-6-10)18(20)21/h1-8H,9H2
InChIKey LAJBSNWHXBFHSA-UHFFFAOYSA-N
Mol Weight 331.77 g/mol
Molecular Formula C16H10ClNO3S
Exact Mass 331.006992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8W1NDEvoKno
Name 3-(chloromethyl)-2-(4-nitrophenyl)-1-benzothiopyran-4-one
Alternate Name(s) 3-(chloromethyl)-2-(4-nitrophenyl)thiochromen-4-one
CAS Registry Number 93367-33-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10ClNO3S
InChI InChI=1S/C16H10ClNO3S/c17-9-13-15(19)12-3-1-2-4-14(12)22-16(13)10-5-7-11(8-6-10)18(20)21/h1-8H,9H2
InChIKey LAJBSNWHXBFHSA-UHFFFAOYSA-N
Molecular Weight 331.773 g/mol
SMILES C(Cl)C1=C(Sc2ccccc2C1=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-0f6t-0091000000-1f5b9f307d5af154a449
Source of Spectrum AJ-57-2324-2
Wiley ID 1328566