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2-sulfanylidene-1,3-oxazinane-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID KbjDATM9KVe
InChI InChI=1S/C9H15NO3S/c1-9(2,3)13-7(11)10-5-4-6-12-8(10)14/h4-6H2,1-3H3
InChIKey HDDIGNUMTHGXEQ-UHFFFAOYSA-N
Mol Weight 217.28 g/mol
Molecular Formula C9H15NO3S
Exact Mass 217.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClLUKdPKPJv
Name 2-sulfanylidene-1,3-oxazinane-3-carboxylic acid tert-butyl ester
Alternate Name(s) 2-thioxo-1,3-oxazinane-3-carboxylic acid tert-butyl ester tert-butyl 2-sulfanylidene-1,3-oxazinane-3-carboxylate tert-butyl 2-thioxo-1,3-oxazinane-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C9H15NO3S
InChI InChI=1S/C9H15NO3S/c1-9(2,3)13-7(11)10-5-4-6-12-8(10)14/h4-6H2,1-3H3
InChIKey HDDIGNUMTHGXEQ-UHFFFAOYSA-N
Molecular Weight 217.283 g/mol
SMILES C(N1C(=S)OCCC1)(OC(C)(C)C)=O
SPLASH splash10-014i-0900000000-6edcf4a1cd66a81504f8
Source of Spectrum Y-33-1788-14
Wiley ID 1216320