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3,3-Diisopropyl-isobenzofuran-1(3H)-one
SpectraBase Compound ID 18WJZUoJBus
InChI InChI=1S/C14H18O2/c1-9(2)14(10(3)4)12-8-6-5-7-11(12)13(15)16-14/h5-10H,1-4H3
InChIKey WOMQEDDXWHIJSZ-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvgHcmzAfPn
Name 3,3-Di(propan-2-yl)-1-isobenzofuranone
Alternate Name(s) 3,3-Di(propan-2-yl)-2-benzofuran-1-one 3,3-Diisopropyl-2-benzofuran-1(3H)-one 3,3-Diisopropylisobenzofuran-1-one 3,3-Diisopropylphthalide
CAS Registry Number 84628-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-9(2)14(10(3)4)12-8-6-5-7-11(12)13(15)16-14/h5-10H,1-4H3
InChIKey WOMQEDDXWHIJSZ-UHFFFAOYSA-N
Molecular Weight 218.296 g/mol
SMILES C1(OC(=O)c2c1cccc2)(C(C)C)C(C)C
SPLASH splash10-004i-0900000000-eca9bdf95df07d110d0d
Source of Spectrum F-44-2911-37
Wiley ID 1217974