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2-(3',7',10',12',16',19'-heneicos-hexa-enyl)benzoxazole

View entire compound with spectra: 1 MS (GC)

2-(3',7',10',12',16',19'-heneicos-hexa-enyl)benzoxazole
SpectraBase Compound ID 8U9Jg5CIJK7
InChI InChI=1S/C28H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-29-26-23-21-22-24-27(26)30-28/h2-3,5-6,9-12,14-15,18-19,21-24H,4,7-8,13,16-17,20,25H2,1H3/b3-2+,6-5+,10-9+,12-11+,15-14+,19-18+
InChIKey JSJWGWWKNCQFAC-GQDSDKFGSA-N
Mol Weight 401.6 g/mol
Molecular Formula C28H35NO
Exact Mass 401.271865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fe7GtwDl3Z8
Name 2-(3',7',10',12',16',19'-heneicos-hexa-enyl)benzoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35NO
InChI InChI=1S/C28H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-29-26-23-21-22-24-27(26)30-28/h2-3,5-6,9-12,14-15,18-19,21-24H,4,7-8,13,16-17,20,25H2,1H3/b3-2+,6-5+,10-9+,12-11+,15-14+,19-18+
InChIKey JSJWGWWKNCQFAC-GQDSDKFGSA-N
Molecular Weight 401.594 g/mol
SMILES c1(nc2c(o1)cccc2)CC\C=C\CC\C=C\C\C=C\C=C\CC\C=C\C\C=C\C
SPLASH splash10-001i-0920000000-249e5d9c521dc493aee7
Source of Spectrum KO-13-216-0
Synonyms 2-[(3E,7E,10E,12E,16E,19E)-3,7,10,12,16,19-henicosahexaenyl]-1,3-benzoxazole
Wiley ID 1370103