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(E/Z)-2-Methylthio-4-heptenoic acid p-methoxyphenethylamide
SpectraBase Compound ID JMTSvqwBxtJ
InChI InChI=1S/C17H25NO2S/c1-4-5-6-7-16(21-3)17(19)18-13-12-14-8-10-15(20-2)11-9-14/h5-6,8-11,16H,4,7,12-13H2,1-3H3,(H,18,19)
InChIKey RNHOAKMQDFRBDM-UHFFFAOYSA-N
Mol Weight 307.45 g/mol
Molecular Formula C17H25NO2S
Exact Mass 307.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BxkQl3Js3Z
Name (E/Z)-2-Methylthio-4-heptenoic acid p-methoxyphenethylamide
Alternate Name(s) N-(4-methoxyphenethyl)-2-(methylthio)hept-4-enamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO2S
InChI InChI=1S/C17H25NO2S/c1-4-5-6-7-16(21-3)17(19)18-13-12-14-8-10-15(20-2)11-9-14/h5-6,8-11,16H,4,7,12-13H2,1-3H3,(H,18,19)
InChIKey RNHOAKMQDFRBDM-UHFFFAOYSA-N
Molecular Weight 307.452 g/mol
SMILES N(CCc1ccc(cc1)OC)C(C(CC=CCC)SC)=O
SPLASH splash10-001i-0920000000-477fcda61bfe35293664
Source of Spectrum QA-53-433-3a
Wiley ID 1796171