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Phenol, 4-(6-nitro-1,1-dioxido-1,2-benzisothiazol-2(3H)-yl)-
SpectraBase Compound ID Cn6YGRLgaQ0
InChI InChI=1S/C13H10N2O5S/c16-12-5-3-10(4-6-12)14-8-9-1-2-11(15(17)18)7-13(9)21(14,19)20/h1-7,16H,8H2
InChIKey GRRIRHYRLGPPBJ-UHFFFAOYSA-N
Mol Weight 306.29 g/mol
Molecular Formula C13H10N2O5S
Exact Mass 306.031043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2E1ZrVMAHU
Name Phenol, 4-(6-nitro-1,1-dioxido-1,2-benzisothiazol-2(3H)-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O5S
InChI InChI=1S/C13H10N2O5S/c16-12-5-3-10(4-6-12)14-8-9-1-2-11(15(17)18)7-13(9)21(14,19)20/h1-7,16H,8H2
InChIKey GRRIRHYRLGPPBJ-UHFFFAOYSA-N
Molecular Weight 306.292 g/mol
SMILES Oc1ccc(cc1)N1Cc2ccc(cc2S1(=O)=O)[N+]([O-])=O
SPLASH splash10-0a4j-2904000000-927fb069dab90889dbf6
Source of Spectrum JX-2015-2-1823
Synonyms 2-(4-hydroxyphenyl)-6-nitro-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide 4-(6-nitro-1,1-dioxido-1,2-benzothiazol-2(3H)-yl)phenol 4-(6-nitro-1,1-dioxo-3H-1,2-benzothiazol-2-yl)phenol 4-[6-nitro-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-2-yl]phenol
Wiley ID 1723443