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4-(4-Methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
SpectraBase Compound ID CXkgG9rIA9f
InChI InChI=1S/C16H15NO5S/c1-11-6-8-12(9-7-11)23(20,21)17-10-15(16(18)19)22-14-5-3-2-4-13(14)17/h2-9,15H,10H2,1H3,(H,18,19)
InChIKey JJRMIGUHWKZLMH-UHFFFAOYSA-N
Mol Weight 333.36 g/mol
Molecular Formula C16H15NO5S
Exact Mass 333.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MpkDKXDATt
Name 4-(4-Methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Alternate Name(s) 4-[(4-Methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid 4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid 4-Tosyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CAS Registry Number 35017-55-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO5S
InChI InChI=1S/C16H15NO5S/c1-11-6-8-12(9-7-11)23(20,21)17-10-15(16(18)19)22-14-5-3-2-4-13(14)17/h2-9,15H,10H2,1H3,(H,18,19)
InChIKey JJRMIGUHWKZLMH-UHFFFAOYSA-N
Molecular Weight 333.358 g/mol
SMILES OC(C1CN(S(c2ccc(cc2)C)(=O)=O)c2c(O1)cccc2)=O
SPLASH splash10-001i-3901000000-e380fbf26e81f0355cb9
Source of Spectrum Y-20-47-0
Wiley ID 1330126