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5-Carboxyethyl-3-(2'-furfuryl)tetrahydro-2H-1,3,5-thiadiazidine-2-thione
SpectraBase Compound ID HftYUoQIGuj
InChI InChI=1S/C11H14N2O3S2/c14-10(15)3-4-12-7-13(11(17)18-8-12)6-9-2-1-5-16-9/h1-2,5H,3-4,6-8H2,(H,14,15)
InChIKey OQXDFWLQBQCZML-UHFFFAOYSA-N
Mol Weight 286.36 g/mol
Molecular Formula C11H14N2O3S2
Exact Mass 286.044585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HHtQEt5Jw7
Name 5-Carboxyethyl-3-(2'-furfuryl)tetrahydro-2H-1,3,5-thiadiazidine-2-thione
Alternate Name(s) 3-[5-(2-furanylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]propanoic acid 3-[5-(2-furylmethyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]propanoic acid 3-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]propanoic acid
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Formula C11H14N2O3S2
InChI InChI=1S/C11H14N2O3S2/c14-10(15)3-4-12-7-13(11(17)18-8-12)6-9-2-1-5-16-9/h1-2,5H,3-4,6-8H2,(H,14,15)
InChIKey OQXDFWLQBQCZML-UHFFFAOYSA-N
Molecular Weight 286.364 g/mol
SMILES OC(CCN1CN(C(SC1)=S)Cc1occc1)=O
SPLASH splash10-001i-9100000000-840e8cd51617baaf501c
Source of Spectrum KC-57-7366-2
Wiley ID 1625456