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Ethyl 3'-cyclohexyl-2'-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-[1,1'-biphenyl]-4-carboxylate
SpectraBase Compound ID LKvZjI3bpGB
InChI InChI=1S/C26H31NO3/c1-4-29-25(28)20-15-13-19(14-16-20)22-12-8-11-21(18-9-6-5-7-10-18)23(22)24-27-26(2,3)17-30-24/h8,11-16,18H,4-7,9-10,17H2,1-3H3
InChIKey MVOSKHRUNAWJSD-UHFFFAOYSA-N
Mol Weight 405.54 g/mol
Molecular Formula C26H31NO3
Exact Mass 405.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsUh7U7wMSE
Name Ethyl 3'-cyclohexyl-2'-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-[1,1'-biphenyl]-4-carboxylate
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.230393859 u
Formula C26H31NO3
InChI InChI=1S/C26H31NO3/c1-4-29-25(28)20-15-13-19(14-16-20)22-12-8-11-21(18-9-6-5-7-10-18)23(22)24-27-26(2,3)17-30-24/h8,11-16,18H,4-7,9-10,17H2,1-3H3
InChIKey MVOSKHRUNAWJSD-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q or HEWLETT-PACKARD HP 6890-MSD 5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103700
Molecular Weight 405.538 g/mol
SMILES C=1(C(=CC=CC1C1CCCCC1)C1=CC=C(C=C1)C(OCC)=O)C=1OCC(C)(C)N1
SPLASH splash10-0f89-0059000000-cc90c80e8aa7b6cbd87e
Source of Spectrum QE-28-SM89-10 (DOI: 10.1002/chem.202103700)
Wiley ID 1898198