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3-Isobutyl-4,5-dimethyl-3H-isobenzofuran-1-one
SpectraBase Compound ID F9LDSg0ZLF3
InChI InChI=1S/C14H18O2/c1-8(2)7-12-13-10(4)9(3)5-6-11(13)14(15)16-12/h5-6,8,12H,7H2,1-4H3
InChIKey IBYSJZPIEUIIRZ-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 9smlfvDTr7n
Name 3-ISOBUTYL-4,5-DIMETHYL-3H-ISOBENZOFURAN-1-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-8(2)7-12-13-10(4)9(3)5-6-11(13)14(15)16-12/h5-6,8,12H,7H2,1-4H3
InChIKey IBYSJZPIEUIIRZ-UHFFFAOYSA-N
Molecular Weight 218.1302
SMILES c12C(CC(C)C)OC(c2ccc(C)c1C)=O
SPLASH splash10-03di-2900000000-b75fd45ea0c3451e3b21
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany