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Ethyl-3-((E)-3-(2,4-dimethylphenyl)-3-hydroxyprop-1-enyl)-4-((E)-pyrrolidin-1-yldiazenyl)benzoate
SpectraBase Compound ID GyOMmxdhNVp
InChI InChI=1S/C24H29N3O3/c1-4-30-24(29)20-8-11-22(25-26-27-13-5-6-14-27)19(16-20)9-12-23(28)21-10-7-17(2)15-18(21)3/h7-12,15-16,23,28H,4-6,13-14H2,1-3H3/b12-9+,26-25+
InChIKey KGHXACKVHAIMCL-ONNLIRQZSA-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 Allgqrc3RIn
Name Ethyl-3-((E)-3-(2,4-dimethylphenyl)-3-hydroxyprop-1-enyl)-4-((E)-pyrrolidin-1-yldiazenyl)benzoate
Alternate Name(s) Ethyl 3-((E)-3-(2,4-dimethylphenyl)-3-hydroxyprop-1-en-1-yl)-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)20-8-11-22(25-26-27-13-5-6-14-27)19(16-20)9-12-23(28)21-10-7-17(2)15-18(21)3/h7-12,15-16,23,28H,4-6,13-14H2,1-3H3/b12-9+,26-25+
InChIKey KGHXACKVHAIMCL-ONNLIRQZSA-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(cc1C)C
SPLASH splash10-009i-2931000000-691421081c06257293f0
Source of Spectrum ACI-52-SM-1j
Wiley ID 1781926