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(2Z)-2-(3-benzyl-1,3-thiazinan-2-ylidene)-2-cyano-acetic acid tert-butyl ester
SpectraBase Compound ID HiJYWw6AVeU
InChI InChI=1S/C18H22N2O2S/c1-18(2,3)22-17(21)15(12-19)16-20(10-7-11-23-16)13-14-8-5-4-6-9-14/h4-6,8-9H,7,10-11,13H2,1-3H3/b16-15-
InChIKey QAYULLYAMAVAGI-NXVVXOECSA-N
Mol Weight 330.45 g/mol
Molecular Formula C18H22N2O2S
Exact Mass 330.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0jjYRx9NYp
Name (2Z)-2-(3-benzyl-1,3-thiazinan-2-ylidene)-2-cyano-acetic acid tert-butyl ester
Alternate Name(s) (2Z)-2-cyano-2-[3-(phenylmethyl)-1,3-thiazinan-2-ylidene]acetic acid tert-butyl ester tert-Butyl (2Z)-2-(3-benzyl-1,3-thiazinan-2-ylidene)-2-cyano-acetate tert-Butyl (2Z)-2-cyano-2-[3-(phenylmethyl)-1,3-thiazinan-2-ylidene]ethanoate
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Formula C18H22N2O2S
InChI InChI=1S/C18H22N2O2S/c1-18(2,3)22-17(21)15(12-19)16-20(10-7-11-23-16)13-14-8-5-4-6-9-14/h4-6,8-9H,7,10-11,13H2,1-3H3/b16-15-
InChIKey QAYULLYAMAVAGI-NXVVXOECSA-N
Molecular Weight 330.446 g/mol
SMILES C(N1\C(=C\(C(OC(C)(C)C)=O)C#N)SCCC1)c1ccccc1
SPLASH splash10-008c-6091000000-8f9bcc8264f30cb27996
Source of Spectrum Y-34-1623-3
Wiley ID 1327829