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2,3-Aziridinedicarboxylic acid, 1-benzo[b]thien-2-yl-, dimethyl ester, cis-
SpectraBase Compound ID BVRLy3rZrBi
InChI InChI=1S/C14H13NO4S/c1-18-13(16)11-12(14(17)19-2)15(11)10-7-8-5-3-4-6-9(8)20-10/h3-7,11-12H,1-2H3/t11-,12+,15?
InChIKey ARDYQBPJOSZFTB-ODOQXGPZSA-N
Mol Weight 291.32 g/mol
Molecular Formula C14H13NO4S
Exact Mass 291.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEyLK1iAB1m
Name 2,3-Aziridinedicarboxylic acid, 1-benzo[b]thien-2-yl-, dimethyl ester, cis-
Alternate Name(s) Dimethyl (2R,3S)-1-(1-benzothien-2-yl)-2,3-aziridinedicarboxylate Dimethyl cis-1-(2-benzo[b]thienyl)aziridine-2,3-dicarboxylate
CAS Registry Number 132681-48-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO4S
InChI InChI=1S/C14H13NO4S/c1-18-13(16)11-12(14(17)19-2)15(11)10-7-8-5-3-4-6-9(8)20-10/h3-7,11-12H,1-2H3/t11-,12+,15?
InChIKey ARDYQBPJOSZFTB-ODOQXGPZSA-N
Molecular Weight 291.321 g/mol
SMILES [C@]1(N([C@]1(C(=O)OC)[H])c1sc2ccccc2c1)(C(=O)OC)[H]
SPLASH splash10-000x-0190000000-202ffb93cadefc6808c5
Source of Spectrum KC-1990-2975-0
Wiley ID 1294417