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Ethyl-3-((E)-3-(3,4-dimethylphenyl)-3-hydroxyprop-1-enyl)-4-((E)-pyrrolidin-1-yldiazenyl)benzoate
SpectraBase Compound ID GicnGiOemC5
InChI InChI=1S/C24H29N3O3/c1-4-30-24(29)21-9-11-22(25-26-27-13-5-6-14-27)19(16-21)10-12-23(28)20-8-7-17(2)18(3)15-20/h7-12,15-16,23,28H,4-6,13-14H2,1-3H3/b12-10+,26-25+
InChIKey YUPMXTRJGBYWFQ-SEKJODJASA-N
Mol Weight 407.51 g/mol
Molecular Formula C24H29N3O3
Exact Mass 407.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43NbynZXoe
Name Ethyl-3-((E)-3-(3,4-dimethylphenyl)-3-hydroxyprop-1-enyl)-4-((E)-pyrrolidin-1-yldiazenyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29N3O3
InChI InChI=1S/C24H29N3O3/c1-4-30-24(29)21-9-11-22(25-26-27-13-5-6-14-27)19(16-21)10-12-23(28)20-8-7-17(2)18(3)15-20/h7-12,15-16,23,28H,4-6,13-14H2,1-3H3/b12-10+,26-25+
InChIKey YUPMXTRJGBYWFQ-SEKJODJASA-N
Literature Reference DOI 10.1002/anie.201306632
Molecular Weight 407.514 g/mol
SMILES OC(\C=C\c1cc(C(=O)OCC)ccc1\N=N\N1CCCC1)c1ccc(c(c1)C)C
SPLASH splash10-00g9-2963000000-d2d71fe3b4a75eea711e
Source of Spectrum ACI-52-SM-1i
Synonyms Ethyl 3-((E)-3-(3,4-dimethylphenyl)-3-hydroxyprop-1-en-1-yl)-4-((E)-pyrrolidin-1-yldiazenyl)benzoate
Wiley ID 1781925