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1,2-Benzisothiazol-3(2H)-one, 2-benzyl-6-nitro-, 1,1-dioxide
SpectraBase Compound ID 1yqtFmDNKjc
InChI InChI=1S/C14H10N2O5S/c17-14-12-7-6-11(16(18)19)8-13(12)22(20,21)15(14)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey AYFDJVUCZAHQPT-UHFFFAOYSA-N
Mol Weight 318.3 g/mol
Molecular Formula C14H10N2O5S
Exact Mass 318.031043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azv9cEBtTxA
Name 1,2-Benzisothiazol-3(2H)-one, 2-benzyl-6-nitro-, 1,1-dioxide
Alternate Name(s) 2-Benzyl-1,1-diketo-6-nitro-1,2-benzothiazol-3-one 2-Benzyl-6-nitro-1,1-dioxo-1,2-benzothiazol-3-one 2-Benzyl-6-nitro-1,2-benzisothiazol-3(2H)-one 1,1-dioxide 6-Nitro-1,1-bis(oxidanylidene)-2-(phenylmethyl)-1,2-benzothiazol-3-one 6-Nitro-1,1-dioxo-2-(phenylmethyl)-1,2-benzothiazol-3-one
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Formula C14H10N2O5S
InChI InChI=1S/C14H10N2O5S/c17-14-12-7-6-11(16(18)19)8-13(12)22(20,21)15(14)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey AYFDJVUCZAHQPT-UHFFFAOYSA-N
Molecular Weight 318.303 g/mol
SMILES c1ccc(CN2S(c3c(ccc(N(=O)=O)c3)C2=O)(=O)=O)cc1
SPLASH splash10-0ufr-9630000000-6bd82c95e224aa6be6e8
Wiley ID 1455971