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2,3-Aziridinedicarboxylic acid, 1-benzo[b]thien-3-yl-, diethyl ester, trans-
SpectraBase Compound ID 1TXkX01orMG
InChI InChI=1S/C16H17NO4S/c1-3-20-15(18)13-14(16(19)21-4-2)17(13)11-9-22-12-8-6-5-7-10(11)12/h5-9,13-14H,3-4H2,1-2H3/t13-,14-/m0/s1
InChIKey DMYAMAKIDMARDL-KBPBESRZSA-N
Mol Weight 319.38 g/mol
Molecular Formula C16H17NO4S
Exact Mass 319.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1wSKC3dE36
Name 2,3-Aziridinedicarboxylic acid, 1-benzo[b]thien-3-yl-, diethyl ester, trans-
Alternate Name(s) Diethyl (2S,3S)-1-(1-benzothien-3-yl)-2,3-aziridinedicarboxylate Diethyl trans-1-(3-benzo[b]thienyl)aziridine-2,3-dicarboxylate trans-1-(2-benzo[b]thienyl)aziridine-2,3-dicarboxylate
CAS Registry Number 132681-66-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4S
InChI InChI=1S/C16H17NO4S/c1-3-20-15(18)13-14(16(19)21-4-2)17(13)11-9-22-12-8-6-5-7-10(11)12/h5-9,13-14H,3-4H2,1-2H3/t13-,14-/m0/s1
InChIKey DMYAMAKIDMARDL-KBPBESRZSA-N
Molecular Weight 319.375 g/mol
SMILES [C@]1(N([C@@]1(C(=O)OCC)[H])c1csc2c1cccc2)(C(=O)OCC)[H]
SPLASH splash10-0fr2-0697000000-280cfd2c2b6016a48e3c
Source of Spectrum KC-1990-2976-0
Wiley ID 1319253