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Benzoic acid, 4-chloro-3-[[3-(2-methylphenyl)-1,3-dioxopropyl]amino]-, dodecyl ester
SpectraBase Compound ID 1RvBEs7seNj
InChI InChI=1S/C29H38ClNO4/c1-3-4-5-6-7-8-9-10-11-14-19-35-29(34)23-17-18-25(30)26(20-23)31-28(33)21-27(32)24-16-13-12-15-22(24)2/h12-13,15-18,20H,3-11,14,19,21H2,1-2H3,(H,31,33)
InChIKey GGIFCZFGWPJLJD-UHFFFAOYSA-N
Mol Weight 500.1 g/mol
Molecular Formula C29H38ClNO4
Exact Mass 499.248936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Wydwv8XRY
Name Benzoic acid, 4-chloro-3-[[3-(2-methylphenyl)-1,3-dioxopropyl]amino]-, dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38ClNO4
InChI InChI=1S/C29H38ClNO4/c1-3-4-5-6-7-8-9-10-11-14-19-35-29(34)23-17-18-25(30)26(20-23)31-28(33)21-27(32)24-16-13-12-15-22(24)2/h12-13,15-18,20H,3-11,14,19,21H2,1-2H3,(H,31,33)
InChIKey GGIFCZFGWPJLJD-UHFFFAOYSA-N
Molecular Weight 500.079 g/mol
SMILES N(c1c(ccc(C(OCCCCCCCCCCCC)=O)c1)Cl)C(=O)CC(=O)c1ccccc1C
SPLASH splash10-006x-9702000000-acc4bfda4b6f59b39c68
Source of Spectrum JX-2015-4-945
Synonyms Dodecyl 4-chloro-3-(3-oxo-3-(o-tolyl)propanamido)benzoate Dodecyl 4-chloro-3-{[3-(2-methylphenyl)-3-oxopropanoyl]amino}benzoate 4-Chloro-3-[[3-(2-methylphenyl)-1,3-dioxopropyl]amino]benzoic acid dodecyl ester Dodecyl 4-chloro-3-[[3-(2-methylphenyl)-3-oxopropanoyl]amino]benzoate Dodecyl 4-chloro-3-[[3-(o-tolyl)-3-oxo-propanoyl]amino]benzoate Dodecyl 4-chloranyl-3-[[3-(2-methylphenyl)-3-oxidanylidene-propanoyl]amino]benzoate
Wiley ID 1726354