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1(3H)-Isobenzofuranone, 3-(1-methylethyl)-
SpectraBase Compound ID CZvl9EV5R8k
InChI InChI=1S/C11H12O2/c1-7(2)10-8-5-3-4-6-9(8)11(12)13-10/h3-7,10H,1-2H3
InChIKey SJTVAYOMOLUGTG-UHFFFAOYSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAOpEgcgqTc
Name 1(3H)-Isobenzofuranone, 3-(1-methylethyl)-
CAS Registry Number 64002-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-7(2)10-8-5-3-4-6-9(8)11(12)13-10/h3-7,10H,1-2H3
InChIKey SJTVAYOMOLUGTG-UHFFFAOYSA-N
Molecular Weight 176.215 g/mol
SMILES C1(OC(c2ccccc12)C(C)C)=O
SPLASH splash10-001i-0900000000-5415a5c085eca97ef111
Source of Spectrum C-113-8777-17
Synonyms 3-Isopropylphthalide 3-isopropyl-3H-isobenzofuran-1-one 3-Propan-2-yl-3H-2-benzofuran-1-one 3-Propan-2-yl-3H-isobenzofuran-1-one
Wiley ID 1172492