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5-Methyl-1-oxo-2,3-dihydro-1H-cyclopenta[a]naphthalen-4-yl Benzenecarbimidothioate
SpectraBase Compound ID LZHmIa8wtBx
InChI InChI=1S/C21H17NOS/c1-13-15-9-5-6-10-16(15)19-17(11-12-18(19)23)20(13)24-21(22)14-7-3-2-4-8-14/h2-10,22H,11-12H2,1H3
InChIKey DKWFMFJCSUNDFE-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C21H17NOS
Exact Mass 331.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4beLG6p2PpU
Name 5-Methyl-1-oxo-2,3-dihydro-1H-cyclopenta[a]naphthalen-4-yl Benzenecarbimidothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NOS
InChI InChI=1S/C21H17NOS/c1-13-15-9-5-6-10-16(15)19-17(11-12-18(19)23)20(13)24-21(22)14-7-3-2-4-8-14/h2-10,22H,11-12H2,1H3
InChIKey DKWFMFJCSUNDFE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.5b02237
Molecular Weight 331.433 g/mol
SMILES N=C(Sc1c2CCC(c2c2c(c1C)cccc2)=O)c1ccccc1
SPLASH splash10-0ufr-0981000000-1e420dd6eb5f39efb1ad
Source of Spectrum J-80-11498-4g
Synonyms 5-Methyl-1-oxo-2,3-dihydro-1H-cyclopenta[a]naphthalen-4-yl benzimidothioate
Wiley ID 1801729