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6-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid
SpectraBase Compound ID 4KLyyyDLvYf
InChI InChI=1S/C21H29NO5/c1-4-26-18-9-7-15(13-19(18)27-5-2)10-11-22-20(23)17-12-14(3)6-8-16(17)21(24)25/h6-7,9,13,16-17H,4-5,8,10-12H2,1-3H3,(H,22,23)(H,24,25)
InChIKey JLDZZDJAVLQKOA-UHFFFAOYSA-N
Mol Weight 375.47 g/mol
Molecular Formula C21H29NO5
Exact Mass 375.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqlIFQYD6Vt
Name 6-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid
Alternate Name(s) 6-[[2-(3,4-diethoxyphenyl)ethylamino]-oxomethyl]-4-methyl-1-cyclohex-3-enecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO5
InChI InChI=1S/C21H29NO5/c1-4-26-18-9-7-15(13-19(18)27-5-2)10-11-22-20(23)17-12-14(3)6-8-16(17)21(24)25/h6-7,9,13,16-17H,4-5,8,10-12H2,1-3H3,(H,22,23)(H,24,25)
InChIKey JLDZZDJAVLQKOA-UHFFFAOYSA-N
Molecular Weight 375.465 g/mol
SMILES N(C(C1C(C(O)=O)CC=C(C1)C)=O)CCc1cc(c(cc1)OCC)OCC
SPLASH splash10-002f-7900000000-b6c77c1085e0d7cca9f6
Wiley ID 1445635