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1-Aziridinecarboximidic acid, 2-(cyanomethyl)-N-(methylsulfonyl)-, ethyl ester
SpectraBase Compound ID ESStKKOaGPt
InChI InChI=1S/C8H13N3O3S/c1-3-14-8(10-15(2,12)13)11-6-7(11)4-5-9/h7H,3-4,6H2,1-2H3/b10-8+
InChIKey LMBGLQSQGRYGKE-CSKARUKUSA-N
Mol Weight 231.27 g/mol
Molecular Formula C8H13N3O3S
Exact Mass 231.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPHl796qteQ
Name 1-Aziridinecarboximidic acid, 2-(cyanomethyl)-N-(methylsulfonyl)-, ethyl ester
CAS Registry Number 121868-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13N3O3S
InChI InChI=1S/C8H13N3O3S/c1-3-14-8(10-15(2,12)13)11-6-7(11)4-5-9/h7H,3-4,6H2,1-2H3/b10-8+
InChIKey LMBGLQSQGRYGKE-CSKARUKUSA-N
Molecular Weight 231.270 g/mol
SMILES CS(\N=C/(N1CC1CC#N)OCC)(=O)=O
SPLASH splash10-00ur-9200000000-82227b84a291a36eda91
Source of Spectrum J-54-3949-12
Synonyms 1-(N'-(methylsulfonyl)-ethoxycarbimidoyl)-2-(cyanomethyl)aziridine N-[(E)-[2-(cyanomethyl)-1-aziridinyl](ethoxy)methylidene]methanesulfonamide
Wiley ID 1232485