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3-Butyryl-6-chloro-1,3-benzoxazole-2(3H)-thione
SpectraBase Compound ID 85JAN0gMISU
InChI InChI=1S/C11H10ClNO2S/c1-2-3-10(14)13-8-5-4-7(12)6-9(8)15-11(13)16/h4-6H,2-3H2,1H3
InChIKey QYLIYXRWRKKCGN-UHFFFAOYSA-N
Mol Weight 255.72 g/mol
Molecular Formula C11H10ClNO2S
Exact Mass 255.012077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kHUDvb1NMY
Name 3-Butyryl-6-chloro-1,3-benzoxazole-2(3H)-thione
CAS Registry Number 31315-64-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10ClNO2S
InChI InChI=1S/C11H10ClNO2S/c1-2-3-10(14)13-8-5-4-7(12)6-9(8)15-11(13)16/h4-6H,2-3H2,1H3
InChIKey QYLIYXRWRKKCGN-UHFFFAOYSA-N
Molecular Weight 255.719 g/mol
SMILES CCCC(N1C(Oc2c1ccc(Cl)c2)=S)=O
SPLASH splash10-0006-9100000000-a574e3d6b51fdbaee749
Source of Spectrum AD-0-2532-0
Synonyms 1-(6-Chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)butan-1-one 1-(6-Chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)-1-butanone 1-(6-Chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)butan-1-one 1-(6-Chloro-2-thioxo-1,3-benzoxazol-3-yl)butan-1-one 1-(6-Chloro-2-thioxo-2,3-dihydrobenzo[d][1,3]oxazol-3-yl)-1-butanone 1-(6-Chloro-2-thioxo-benzooxazol-3-yl)-butan-1-one
Wiley ID 1421933