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3-isopropenyl-3-methyl-1H-isobenzofuran
SpectraBase Compound ID 9aZe4gliMoN
InChI InChI=1S/C12H14O/c1-9(2)12(3)11-7-5-4-6-10(11)8-13-12/h4-7H,1,8H2,2-3H3
InChIKey XTMQTXGLEABSLN-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8UjLAw9j2K
Name 3-isopropenyl-3-methyl-1H-isobenzofuran
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 174.104465070 u
Formula C12H14O
InChI InChI=1S/C12H14O/c1-9(2)12(3)11-7-5-4-6-10(11)8-13-12/h4-7H,1,8H2,2-3H3
InChIKey XTMQTXGLEABSLN-UHFFFAOYSA-N
Instrument Name HP-5989
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602366
Molecular Weight 174.243 g/mol
Quality 174
Reported Formula C12H14O
SMILES C1=CC2=C(C=C1)COC2(C(=C)C)C
SPLASH splash10-0006-0900000000-3cda5b3176d727603bdb
Source of Spectrum QE-22-SM37-3l (DOI: 10.1002/chem.201602366)
Wiley ID 1904970