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Ethyl-3-((E)-3-(biphenyl-4-yl)-3-hydroxyprop-1-enyl)-4-((E)-pyrrolidin-1-yldiazenyl)benzoate
SpectraBase Compound ID 2GsF06ZgU3i
InChI InChI=1S/C28H29N3O3/c1-2-34-28(33)25-14-16-26(29-30-31-18-6-7-19-31)24(20-25)15-17-27(32)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-17,20,27,32H,2,6-7,18-19H2,1H3/b17-15+,30-29+
InChIKey NFYIIBQMKYELBE-XYMXSCFFSA-N
Mol Weight 455.56 g/mol
Molecular Formula C28H29N3O3
Exact Mass 455.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kkeyVCJuK
Name Ethyl-3-((E)-3-(biphenyl-4-yl)-3-hydroxyprop-1-enyl)-4-((E)-pyrrolidin-1-yldiazenyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29N3O3
InChI InChI=1S/C28H29N3O3/c1-2-34-28(33)25-14-16-26(29-30-31-18-6-7-19-31)24(20-25)15-17-27(32)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-17,20,27,32H,2,6-7,18-19H2,1H3/b17-15+,30-29+
InChIKey NFYIIBQMKYELBE-XYMXSCFFSA-N
Molecular Weight 455.558 g/mol
SMILES OC(\C=C\c1cc(ccc1\N=N\N1CCCC1)C(OCC)=O)c1ccc(cc1)-c1ccccc1
SPLASH splash10-00ri-0958300000-7d13f03c1a417830cf96
Source of Spectrum ACI-52-SM-1m
Synonyms Ethyl 3-((E)-3-([1,1'-biphenyl]-4-yl)-3-hydroxyprop-1-en-1-yl)-4-((E)-pyrrolidin-1-yldiazenyl)benzoate
Wiley ID 1781929