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3-Methylbicyclo[4.2.0]octa-1,3,5-triene
SpectraBase Compound ID CXksxDzPCUG
InChI InChI=1S/C9H10/c1-7-2-3-8-4-5-9(8)6-7/h2-3,6H,4-5H2,1H3
InChIKey REGJLSRCTHUZLZ-UHFFFAOYSA-N
Mol Weight 118.18 g/mol
Molecular Formula C9H10
Exact Mass 118.07825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5F1JBhSYJN
Name 3-Methylbicyclo[4.2.0]octa-1,3,5-triene
CAS Registry Number 22250-74-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10
InChI InChI=1S/C9H10/c1-7-2-3-8-4-5-9(8)6-7/h2-3,6H,4-5H2,1H3
InChIKey REGJLSRCTHUZLZ-UHFFFAOYSA-N
Molecular Weight 118.179 g/mol
SMILES c1c2c(cc(c1)C)CC2
SPLASH splash10-014i-7900000000-4cbb9b23f6724c75cf0c
Synonyms 4-Methylbicyclo[4.2.0]octa-1(6),2,4-triene Bicyclo[4.2.0]octa-1,3,5-triene, 3-methyl-
Wiley ID 1497859