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3-Phenyl-5-(3-(3-phenylisoxazol-5-yl)octyl)isoxazole
SpectraBase Compound ID EBI1553uacJ
InChI InChI=1S/C26H28N2O2/c1-2-3-6-15-22(26-19-25(28-30-26)21-13-9-5-10-14-21)16-17-23-18-24(27-29-23)20-11-7-4-8-12-20/h4-5,7-14,18-19,22H,2-3,6,15-17H2,1H3
InChIKey NAXUEEFAFOPFLF-UHFFFAOYSA-N
Mol Weight 400.52 g/mol
Molecular Formula C26H28N2O2
Exact Mass 400.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 935rFUHczIp
Name 3-Phenyl-5-(3-(3-phenylisoxazol-5-yl)octyl)isoxazole
Alternate Name(s) 3-Phenyl-5-[3-(3-phenyl-5-isoxazolyl)octyl]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N2O2
InChI InChI=1S/C26H28N2O2/c1-2-3-6-15-22(26-19-25(28-30-26)21-13-9-5-10-14-21)16-17-23-18-24(27-29-23)20-11-7-4-8-12-20/h4-5,7-14,18-19,22H,2-3,6,15-17H2,1H3
InChIKey NAXUEEFAFOPFLF-UHFFFAOYSA-N
Molecular Weight 400.522 g/mol
SMILES c1(noc(c1)CCC(CCCCC)c1onc(c1)-c1ccccc1)-c1ccccc1
SPLASH splash10-0006-2970000000-a47967f2aea5963d5aae
Source of Spectrum KC-61-11276-20
Wiley ID 1631293