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Propenenitrile, 2-(4-chlorobenzylsulfonyl)-3-ethoxy-
SpectraBase Compound ID LM7lvzfN1K5
InChI InChI=1S/C12H12ClNO3S/c1-2-17-8-12(7-14)18(15,16)9-10-3-5-11(13)6-4-10/h3-6,8H,2,9H2,1H3/b12-8+
InChIKey XYNGGTMJZSINII-XYOKQWHBSA-N
Mol Weight 285.75 g/mol
Molecular Formula C12H12ClNO3S
Exact Mass 285.022642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xbhBKhMLSU
Name Propenenitrile, 2-(4-chlorobenzylsulfonyl)-3-ethoxy-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO3S
InChI InChI=1S/C12H12ClNO3S/c1-2-17-8-12(7-14)18(15,16)9-10-3-5-11(13)6-4-10/h3-6,8H,2,9H2,1H3/b12-8+
InChIKey XYNGGTMJZSINII-XYOKQWHBSA-N
Molecular Weight 285.745 g/mol
SMILES CCO\C=C/(S(Cc1ccc(Cl)cc1)(=O)=O)C#N
SPLASH splash10-004i-2900000000-e95dcc570c0ed6a5f209
Source of Spectrum AD-0-2532-0
Synonyms (2E)-2-[(4-Chlorobenzyl)sulfonyl]-3-ethoxy-2-propenenitrile (E)-2-(4-chlorobenzyl)sulfonyl-3-ethoxy-acrylonitrile (E)-2-[(4-chlorophenyl)methylsulfonyl]-3-ethoxy-2-propenenitrile (E)-2-[(4-chlorophenyl)methylsulfonyl]-3-ethoxy-prop-2-enenitrile
Wiley ID 1424404