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N,N-dimethylthiocarbamic acid O-(4-keto-2,2-dimethyl-chroman-7-yl) ester
SpectraBase Compound ID 3Rs7vxovaMx
InChI InChI=1S/C14H17NO3S/c1-14(2)8-11(16)10-6-5-9(7-12(10)18-14)17-13(19)15(3)4/h5-7H,8H2,1-4H3
InChIKey BWHVRDKSGCFEFR-UHFFFAOYSA-N
Mol Weight 279.35 g/mol
Molecular Formula C14H17NO3S
Exact Mass 279.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jfTSGexAkQ
Name N,N-dimethylthiocarbamic acid O-(4-keto-2,2-dimethyl-chroman-7-yl) ester
Alternate Name(s) O-(2,2-dimethyl-4-oxo-chroman-7-yl) N,N-dimethylcarbamothioate N,N-dimethylcarbamothioic acid O-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)] ester O-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)] N,N-dimethylcarbamothioate
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Formula C14H17NO3S
InChI InChI=1S/C14H17NO3S/c1-14(2)8-11(16)10-6-5-9(7-12(10)18-14)17-13(19)15(3)4/h5-7H,8H2,1-4H3
InChIKey BWHVRDKSGCFEFR-UHFFFAOYSA-N
Molecular Weight 279.354 g/mol
SMILES c12c(C(=O)CC(O2)(C)C)ccc(OC(=S)N(C)C)c1
SPLASH splash10-00dr-9110000000-0656230f7efc3cde4b11
Source of Spectrum J-59-6321-8
Wiley ID 1282850