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5-Amino-3,3-dimethyl-7-(p-tolyl)-3H-[1,2]oxathiolo[4,3-b]pyridine-6-carbonitrile 1,1-dioxide
SpectraBase Compound ID IvBIpzwJgu1
InChI InChI=1S/C16H15N3O3S/c1-9-4-6-10(7-5-9)12-11(8-17)15(18)19-14-13(12)23(20,21)22-16(14,2)3/h4-7H,1-3H3,(H2,18,19)
InChIKey KRMHGDKWHYTBRD-UHFFFAOYSA-N
Mol Weight 329.37 g/mol
Molecular Formula C16H15N3O3S
Exact Mass 329.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cUDNTkDR7R
Name 5-Amino-3,3-dimethyl-7-(p-tolyl)-3H-[1,2]oxathiolo[4,3-b]pyridine-6-carbonitrile 1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O3S
InChI InChI=1S/C16H15N3O3S/c1-9-4-6-10(7-5-9)12-11(8-17)15(18)19-14-13(12)23(20,21)22-16(14,2)3/h4-7H,1-3H3,(H2,18,19)
InChIKey KRMHGDKWHYTBRD-UHFFFAOYSA-N
Molecular Weight 329.374 g/mol
SMILES Nc1c(c(c2S(OC(C)(C)c2n1)(=O)=O)-c1ccc(cc1)C)C#N
SPLASH splash10-03fr-0219000000-8bddb48658a0c627bd62
Source of Spectrum Y-51-1455-3e
Wiley ID 1741560