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6-Methyl-4-(3-methylbut-3-en-1-yl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
SpectraBase Compound ID B5y45Hn3uo3
InChI InChI=1S/C14H18O3/c1-8(2)4-5-10-6-9(3)7-11-12(10)14(16)17-13(11)15/h6,10-12H,1,4-5,7H2,2-3H3
InChIKey LCZXRCDWSMPPGG-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExeshiDShiE
Name 6-Methyl-4-(3-methylbut-3-en-1-yl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-8(2)4-5-10-6-9(3)7-11-12(10)14(16)17-13(11)15/h6,10-12H,1,4-5,7H2,2-3H3
InChIKey LCZXRCDWSMPPGG-UHFFFAOYSA-N
Instrument Name Agilent Q-TOF 6540
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.175
Molecular Weight 234.295 g/mol
SMILES CC1=CC(C2C(C1)C(OC2=O)=O)CCC(=C)C
SPLASH splash10-05ox-9300000000-7d3b9695274776a25d34
Source of Spectrum BJO-13-1813-6a
Wiley ID 1848224