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S-(2-acetamidoethyl) hexa-2,4-dienethioate
SpectraBase Compound ID EmrMGUb7rpv
InChI InChI=1S/C10H15NO2S/c1-3-4-5-6-10(13)14-8-7-11-9(2)12/h3-6H,7-8H2,1-2H3,(H,11,12)/b4-3+,6-5+
InChIKey SIWCBKCWIPOICV-VNKDHWASSA-N
Mol Weight 213.29 g/mol
Molecular Formula C10H15NO2S
Exact Mass 213.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CQ2N4KIRZA
Name S-(2-acetamidoethyl) hexa-2,4-dienethioate
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15NO2S
GC Column HP5-MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C10H15NO2S/c1-3-4-5-6-10(13)14-8-7-11-9(2)12/h3-6H,7-8H2,1-2H3,(H,11,12)/b4-3+,6-5+
InChIKey SIWCBKCWIPOICV-VNKDHWASSA-N
Inlet Type Split
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201606655
Quality 199
SMILES N(CCSC(\C=C\C=C\C)=O)C(C)=O
SPLASH splash10-0002-9000000000-3fb605f0a755e08c2e39
Source of Spectrum ACI-55-SM12-2 (DOI: 10.1002/anie.201606655)
Wiley ID 1908147