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3,3-Diheptyl-2-benzofuran-1(3H)-one
SpectraBase Compound ID 3qfWY9S7ZNy
InChI InChI=1S/C22H34O2/c1-3-5-7-9-13-17-22(18-14-10-8-6-4-2)20-16-12-11-15-19(20)21(23)24-22/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
InChIKey SQMVOHHWMUACGB-UHFFFAOYSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BH5dtpKr9mV
Name 3,3-Diheptyl-2-benzofuran-1(3H)-one
Alternate Name(s) 3,3-Diheptyl-1-isobenzofuranone 3,3-Diheptyl-2-benzofuran-1-one 3,3-Diheptylisobenzofuran-1-one 3,3-Diheptylphthalide Isobenzofuran-1(3H)-one, 3,3-diheptyl-
CAS Registry Number 299420-15-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-3-5-7-9-13-17-22(18-14-10-8-6-4-2)20-16-12-11-15-19(20)21(23)24-22/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
InChIKey SQMVOHHWMUACGB-UHFFFAOYSA-N
Molecular Weight 330.512 g/mol
SMILES c1c2c(ccc1)C(OC2=O)(CCCCCCC)CCCCCCC
SPLASH splash10-001i-8890000000-775ceee6fe1cbc203578
Source of Spectrum AD-0-2532-0
Wiley ID 1423477