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5-[(2R,3R,4S)-3-bromo-4-(carbomethoxyamino)tetrahydrothiophen-2-yl]valeric acid methyl ester
SpectraBase Compound ID KjIeZKZATpx
InChI InChI=1S/C12H20BrNO4S/c1-17-10(15)6-4-3-5-9-11(13)8(7-19-9)14-12(16)18-2/h8-9,11H,3-7H2,1-2H3,(H,14,16)/t8-,9+,11+/m0/s1
InChIKey BKTFWOJJOWQVDQ-IQJOONFLSA-N
Mol Weight 354.26 g/mol
Molecular Formula C12H20BrNO4S
Exact Mass 353.029642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KI9PMeDRnrG
Name 5-[(2R,3R,4S)-3-bromo-4-(carbomethoxyamino)tetrahydrothiophen-2-yl]valeric acid methyl ester
Alternate Name(s) 5-[(2R,3R,4S)-3-bromo-4-(methoxycarbonylamino)-2-thiolanyl]pentanoic acid methyl ester Methyl 5-[(2R,3R,4S)-3-bromanyl-4-(methoxycarbonylamino)thiolan-2-yl]pentanoate Methyl 5-[(2R,3R,4S)-3-bromo-4-(methoxycarbonylamino)tetrahydrothiophen-2-yl]pentanoate Methyl 5-[(2R,3R,4S)-3-bromo-4-(methoxycarbonylamino)thiolan-2-yl]pentanoate
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Formula C12H20BrNO4S
InChI InChI=1S/C12H20BrNO4S/c1-17-10(15)6-4-3-5-9-11(13)8(7-19-9)14-12(16)18-2/h8-9,11H,3-7H2,1-2H3,(H,14,16)/t8-,9+,11+/m0/s1
InChIKey BKTFWOJJOWQVDQ-IQJOONFLSA-N
Molecular Weight 354.259 g/mol
SMILES N([C@@]1([C@]([C@@](CCCCC(=O)OC)(SC1)[H])(Br)[H])[H])C(=O)OC
SPLASH splash10-014i-0913000000-04c261f46056eb6fa4ca
Source of Spectrum J-60-329-26
Wiley ID 1343780