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1-Isobutyryl-benzocyclobutane
SpectraBase Compound ID LmIJnjLxQZo
InChI InChI=1S/C12H14O/c1-8(2)12(13)11-7-9-5-3-4-6-10(9)11/h3-6,8,11H,7H2,1-2H3
InChIKey DOIJQDSPEKWSIO-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 Irldq2skv6U
Name 1-Isobutyryl-benzocyclobutane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c1-8(2)12(13)11-7-9-5-3-4-6-10(9)11/h3-6,8,11H,7H2,1-2H3
InChIKey DOIJQDSPEKWSIO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19720550103
Molecular Weight 174.243 g/mol
SMILES c12c(CC2C(C(C)C)=O)cccc1
SPLASH splash10-0fk9-0900000000-fdd209271b62733ea1b6
Source of Spectrum H-55-13-9
Synonyms 1-(bicyclo[4.2.0]octa-1,3,5-trien-7-yl)-2-methylpropan-1-one
Wiley ID 1797011