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2-Aziridinecarboxylic acid, 1-benzo[b]thien-2-yl-3-methyl-, methyl ester, cis-
SpectraBase Compound ID 7a7iwFnRDz8
InChI InChI=1S/C13H13NO2S/c1-8-12(13(15)16-2)14(8)11-7-9-5-3-4-6-10(9)17-11/h3-8,12H,1-2H3/t8-,12-,14?/m0/s1
InChIKey IDLMAIFMQILEQX-OVBLWQFYSA-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 BxIKdhLGDOj
Name 2-Aziridinecarboxylic acid, 1-benzo[b]thien-2-yl-3-methyl-, methyl ester, cis-
CAS Registry Number 132681-52-8
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)11-7-9-5-3-4-6-10(9)17-11/h3-8,12H,1-2H3/t8-,12-,14?/m0/s1
InChIKey IDLMAIFMQILEQX-OVBLWQFYSA-N
Molecular Weight 247.312 g/mol
SMILES [C@]1(N([C@]1(C)[H])c1sc2ccccc2c1)(C(=O)OC)[H]
SPLASH splash10-000i-0920000000-e3ec387df2299de05661
Source of Spectrum KC-1990-2976-0
Synonyms Methyl (2S,3S)-1-(1-benzothien-2-yl)-3-methyl-2-aziridinecarboxylate Methyl cis-1-(2-benzo[b]thienyl)-3-methyl aziridine-2-carboxylate
Wiley ID 1249901