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4H-1-Benzopyran-4-one, 6-bromo-2,3-dihydro-, O-[(4-methylphenyl)sulfonyl]oxime
SpectraBase Compound ID 2gXmccb2xUy
InChI InChI=1S/C16H14BrNO4S/c1-11-2-5-13(6-3-11)23(19,20)22-18-15-8-9-21-16-7-4-12(17)10-14(15)16/h2-7,10H,8-9H2,1H3/b18-15+
InChIKey XRWHXNFOLZMBQS-OBGWFSINSA-N
Mol Weight 396.26 g/mol
Molecular Formula C16H14BrNO4S
Exact Mass 394.982692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxaR7WFozLT
Name 4H-1-Benzopyran-4-one, 6-bromo-2,3-dihydro-, O-[(4-methylphenyl)sulfonyl]oxime
CAS Registry Number 61961-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14BrNO4S
InChI InChI=1S/C16H14BrNO4S/c1-11-2-5-13(6-3-11)23(19,20)22-18-15-8-9-21-16-7-4-12(17)10-14(15)16/h2-7,10H,8-9H2,1H3/b18-15+
InChIKey XRWHXNFOLZMBQS-OBGWFSINSA-N
Molecular Weight 396.255 g/mol
SMILES c12\C(=N\OS(c3ccc(cc3)C)(=O)=O)CCOc1ccc(c2)Br
SPLASH splash10-0007-9842000000-234f14ba5d7714b5c6f4
Source of Spectrum B-29-1797-0
Synonyms 6-Bromochroman-4-one oxime tosylate [(4E)-6-bromo-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 4-methylbenzene-1-sulfonate
Wiley ID 1366960