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2-(Naphthalen-2-yl)-3-(phenylthio)-4H-thiochromen-4-one
SpectraBase Compound ID 6mU6gx9f1Y5
InChI InChI=1S/C25H16OS2/c26-23-21-12-6-7-13-22(21)28-24(25(23)27-20-10-2-1-3-11-20)19-15-14-17-8-4-5-9-18(17)16-19/h1-16H
InChIKey GXBUNTJLJITIMY-UHFFFAOYSA-N
Mol Weight 396.52 g/mol
Molecular Formula C25H16OS2
Exact Mass 396.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYw000mMiHt
Name 2-(Naphthalen-2-yl)-3-(phenylthio)-4H-thiochromen-4-one
Appearance Yellow solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.064257482 u
Formula C25H16OS2
InChI InChI=1S/C25H16OS2/c26-23-21-12-6-7-13-22(21)28-24(25(23)27-20-10-2-1-3-11-20)19-15-14-17-8-4-5-9-18(17)16-19/h1-16H
InChIKey GXBUNTJLJITIMY-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 396.522 g/mol
Reported Formula C25H16OS2
SMILES C1=CC2=C(C=C1)SC(=C(C2=O)SC1=CC=CC=C1)C1=CC2=C(C=C1)C=CC=C2
SPLASH splash10-0002-0009000000-b01f6224e38f819fb9f3
Source of Spectrum CCC-15-8-3u (DOI: 10.1002/cctc.202201557)
Wiley ID 1910130