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4-Oxazoleoctanoic acid, 4,5-dihydro-5-octyl-2-phenyl-, methyl ester, cis-
SpectraBase Compound ID LV7wu0cLkYR
InChI InChI=1S/C26H41NO3/c1-3-4-5-6-9-15-20-24-23(19-14-8-7-10-16-21-25(28)29-2)27-26(30-24)22-17-12-11-13-18-22/h11-13,17-18,23-24H,3-10,14-16,19-21H2,1-2H3/t23-,24+/m1/s1
InChIKey YVNJDLUYNNPAPO-RPWUZVMVSA-N
Mol Weight 415.6 g/mol
Molecular Formula C26H41NO3
Exact Mass 415.308644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49iNjpn8nw
Name 4-Oxazoleoctanoic acid, 4,5-dihydro-5-octyl-2-phenyl-, methyl ester, cis-
CAS Registry Number 55530-33-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H41NO3
InChI InChI=1S/C26H41NO3/c1-3-4-5-6-9-15-20-24-23(19-14-8-7-10-16-21-25(28)29-2)27-26(30-24)22-17-12-11-13-18-22/h11-13,17-18,23-24H,3-10,14-16,19-21H2,1-2H3/t23-,24+/m1/s1
InChIKey YVNJDLUYNNPAPO-RPWUZVMVSA-N
Molecular Weight 415.618 g/mol
SMILES C1(=N[C@](CCCCCCCC(=O)OC)([C@@](O1)(CCCCCCCC)[H])[H])c1ccccc1
SPLASH splash10-0pdi-3900000000-0cefc4a481cb63a51647
Source of Spectrum O-4-143-1
Synonyms cis-2-phenyl-4-carbomethoxyheptyl-5-octyloxazoline Methyl 8-[(4R,5S)-5-octyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]octanoate
Wiley ID 58347