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2-Aziridinecarboxylic acid, 1-benzo[b]thien-3-yl-3-methyl-, methyl ester, trans-
SpectraBase Compound ID I7ob1pr5NaH
InChI InChI=1S/C13H13NO2S/c1-8-12(13(15)16-2)14(8)10-7-17-11-6-4-3-5-9(10)11/h3-8,12H,1-2H3/t8-,12+,14?/m1/s1
InChIKey OHONKYMYDRKVSP-AHEXBUEFSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pIZIZr34lo
Name 2-Aziridinecarboxylic acid, 1-benzo[b]thien-3-yl-3-methyl-, methyl ester, trans-
CAS Registry Number 132681-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c1-8-12(13(15)16-2)14(8)10-7-17-11-6-4-3-5-9(10)11/h3-8,12H,1-2H3/t8-,12+,14?/m1/s1
InChIKey OHONKYMYDRKVSP-AHEXBUEFSA-N
Molecular Weight 247.312 g/mol
SMILES [C@]1(N([C@@]1(C)[H])c1csc2c1cccc2)(C(=O)OC)[H]
SPLASH splash10-000j-0940000000-fca86fea3c29f67d504d
Source of Spectrum KC-1990-2976-11
Synonyms Methyl (2S,3R)-1-(1-benzothien-3-yl)-3-methyl-2-aziridinecarboxylate Methyl 1-(3-benzo[b]thienyl)-3-methyl aziridine-2-carboxylate
Wiley ID 1249902