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Ethyl 2-(bis(4-isopropoxyphenyl)methylene)-4-phenylbut-3-ynoate
SpectraBase Compound ID 55YEdZpPyDR
InChI InChI=1S/C31H32O4/c1-6-33-31(32)29(21-12-24-10-8-7-9-11-24)30(25-13-17-27(18-14-25)34-22(2)3)26-15-19-28(20-16-26)35-23(4)5/h7-11,13-20,22-23H,6H2,1-5H3
InChIKey XSJQDHFBWDSARN-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C31H32O4
Exact Mass 468.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CH1YGPKkBtn
Name Ethyl 2-(bis(4-isopropoxyphenyl)methylene)-4-phenylbut-3-ynoate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H32O4
InChI InChI=1S/C31H32O4/c1-6-33-31(32)29(21-12-24-10-8-7-9-11-24)30(25-13-17-27(18-14-25)34-22(2)3)26-15-19-28(20-16-26)35-23(4)5/h7-11,13-20,22-23H,6H2,1-5H3
InChIKey XSJQDHFBWDSARN-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901830
Molecular Weight 468.593 g/mol
Reported Formula C31H32O4
SMILES C(c1ccc(cc1)OC(C)C)(c1ccc(cc1)OC(C)C)=C(C#Cc1ccccc1)C(OCC)=O
SPLASH splash10-014i-2326900000-aa09a3133c6c3590a248
Source of Spectrum U1-2020-SM211-15c
Wiley ID 1858841