8-Oxa-1,2-diaza-5-azoniaspiro[4.5]deca-1,3-diene, 4-hydroxy-3-(phenylthio)-, hydroxide, inner salt, 2-oxide

SpectraBase Compound ID	3KgoPV9QlPV
InChI	InChI=1S/C12H13N3O3S/c16-12-11(19-10-4-2-1-3-5-10)14(17)13-15(12)6-8-18-9-7-15/h1-5H,6-9H2
InChIKey	PVTGSPQFLMSPRQ-UHFFFAOYSA-N Google Search
Mol Weight	279.31 g/mol
Molecular Formula	C12H13N3O3S
Exact Mass	279.067762 g/mol

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SpectraBase Spectrum ID	34pZoFZxgi4
Name	8-Oxa-1,2-diaza-5-azoniaspiro[4.5]deca-1,3-diene, 4-hydroxy-3-(phenylthio)-, hydroxide, inner salt, 2-oxide
Alternate Name(s)	3-(Phenylsulfanyl)-8-oxa-1,2-diaza-5-azoniaspiro[4.5]deca-1,3-dien-4-olate 2-oxide 3-Phenylthio-8-oxa-1-aza-2,5-diazoniaspiro[4.5]deca-1,3-dien-2,4-diolate
CAS Registry Number	69045-45-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H13N3O3S
InChI	InChI=1S/C12H13N3O3S/c16-12-11(19-10-4-2-1-3-5-10)14(17)13-15(12)6-8-18-9-7-15/h1-5H,6-9H2
InChIKey	PVTGSPQFLMSPRQ-UHFFFAOYSA-N
Molecular Weight	279.314 g/mol
SMILES	c1([n+](n[n+]2(c1[O-])CCOCC2)[O-])Sc1ccccc1
SPLASH	splash10-004i-3940000000-ab490b40ba4ad5b57d31
Source of Spectrum	K-114-1742-0
Wiley ID	1282764