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[5-n-decyl-3-(4-methoxyphenyl)isoxazol-4-yl](thiophen-2-yl)methanone

View entire compound with spectra: 1 MS (GC)

[5-n-decyl-3-(4-methoxyphenyl)isoxazol-4-yl](thiophen-2-yl)methanone
SpectraBase Compound ID 3Rc1ZvPxrmd
InChI InChI=1S/C25H31NO3S/c1-3-4-5-6-7-8-9-10-12-21-23(25(27)22-13-11-18-30-22)24(26-29-21)19-14-16-20(28-2)17-15-19/h11,13-18H,3-10,12H2,1-2H3
InChIKey QMCGCDYDGMUECQ-UHFFFAOYSA-N
Mol Weight 425.59 g/mol
Molecular Formula C25H31NO3S
Exact Mass 425.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMo63JK6gHs
Name [5-n-decyl-3-(4-methoxyphenyl)isoxazol-4-yl](thiophen-2-yl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO3S
InChI InChI=1S/C25H31NO3S/c1-3-4-5-6-7-8-9-10-12-21-23(25(27)22-13-11-18-30-22)24(26-29-21)19-14-16-20(28-2)17-15-19/h11,13-18H,3-10,12H2,1-2H3
InChIKey QMCGCDYDGMUECQ-UHFFFAOYSA-N
Molecular Weight 425.587 g/mol
SMILES c1(c(noc1CCCCCCCCCC)-c1ccc(cc1)OC)C(c1sccc1)=O
SPLASH splash10-004i-0101900000-0c675f8e0cfd143f93c0
Source of Spectrum F4-40-300-5k
Wiley ID 1670206