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Methyl 2-isocyanatosulfonyl-3-methylbenzoate
SpectraBase Compound ID QdEv1nQuOs
InChI InChI=1S/C10H9NO5S/c1-7-4-3-5-8(10(13)16-2)9(7)17(14,15)11-6-12/h3-5H,1-2H3
InChIKey MNGWIJMEYZCHSG-UHFFFAOYSA-N
Mol Weight 255.24 g/mol
Molecular Formula C10H9NO5S
Exact Mass 255.020144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fq7yAEwOVkz
Name Methyl 2-isocyanatosulfonyl-3-methylbenzoate
Alternate Name(s) 2-isocyanatosulfonyl-3-methyl-benzoic acid methyl ester 2-isocyanatosulfonyl-3-methylbenzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO5S
InChI InChI=1S/C10H9NO5S/c1-7-4-3-5-8(10(13)16-2)9(7)17(14,15)11-6-12/h3-5H,1-2H3
InChIKey MNGWIJMEYZCHSG-UHFFFAOYSA-N
Molecular Weight 255.244 g/mol
SMILES c1(S(N=C=O)(=O)=O)c(C(=O)OC)cccc1C
SPLASH splash10-0gvx-9220000000-06f588422c69f54970c2
Source of Spectrum O-30-333-8
Wiley ID 1258555