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9-(1,1-Dimethylpropyl)-6-n-pentadecyl-4,5-dihydro-3H-benzo[b]oxepin-2-one
SpectraBase Compound ID JHEPkfHKIzK
InChI InChI=1S/C30H50O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-23-24-27(30(3,4)6-2)29-26(25)21-19-22-28(31)32-29/h23-24H,5-22H2,1-4H3
InChIKey UVZVDGCAZQFOTK-UHFFFAOYSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 803XWzG1WOP
Name 9-(1,1-Dimethylpropyl)-6-n-pentadecyl-4,5-dihydro-3H-benzo[b]oxepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-23-24-27(30(3,4)6-2)29-26(25)21-19-22-28(31)32-29/h23-24H,5-22H2,1-4H3
InChIKey UVZVDGCAZQFOTK-UHFFFAOYSA-N
Molecular Weight 442.728 g/mol
SMILES c12c(ccc(c2CCCC(O1)=O)CCCCCCCCCCCCCCC)C(CC)(C)C
SPLASH splash10-0ik9-0050900000-64d9aeec2cfb30c6b04e
Source of Spectrum CV-2002-2755-18
Synonyms 6-Pentadecyl-9-tert-pentyl-4,5-dihydro-1-benzoxepin-2(3H)-one
Wiley ID 1610750