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(2E)-2-(tert-Butylsulfonyl)-3-(3-formyl-2-thienyl)-2-propenenitrile
SpectraBase Compound ID 562vXa5V2PZ
InChI InChI=1S/C12H13NO3S2/c1-12(2,3)18(15,16)10(7-13)6-11-9(8-14)4-5-17-11/h4-6,8H,1-3H3/b10-6+
InChIKey RCRLLIFOKKRHKY-UXBLZVDNSA-N
Mol Weight 283.36 g/mol
Molecular Formula C12H13NO3S2
Exact Mass 283.033686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4p0OLmO9Nhd
Name (2E)-2-(tert-Butylsulfonyl)-3-(3-formyl-2-thienyl)-2-propenenitrile
CAS Registry Number 255377-88-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3S2
InChI InChI=1S/C12H13NO3S2/c1-12(2,3)18(15,16)10(7-13)6-11-9(8-14)4-5-17-11/h4-6,8H,1-3H3/b10-6+
InChIKey RCRLLIFOKKRHKY-UXBLZVDNSA-N
Molecular Weight 283.360 g/mol
SMILES CC(S(\C(=C\c1c(ccs1)C=O)C#N)(=O)=O)(C)C
SPLASH splash10-0bt9-9600000000-12905ea2c6eff4b7cf1b
Source of Spectrum AD-0-2532-0
Synonyms (E)-2-tert-butylsulfonyl-3-(3-formyl-2-thienyl)acrylonitrile (E)-2-tert-butylsulfonyl-3-(3-formyl-2-thienyl)prop-2-enenitrile (E)-2-tert-butylsulfonyl-3-(3-formyl-2-thiophenyl)-2-propenenitrile (E)-2-tert-butylsulfonyl-3-(3-formylthiophen-2-yl)prop-2-enenitrile (E)-2-tert-butylsulfonyl-3-(3-methanoylthiophen-2-yl)prop-2-enenitrile Propenenitrile, 2-tert-butylsulfonyl-3-(3-formyl-2-thienyl)-
Wiley ID 1427510