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3H-Benzo[b]cyclobuta[d]pyran-3-one, 2a-acetyl-1,2,2a,8b-tetrahydro-1-methyl-1-(1-methylethenyl)-
SpectraBase Compound ID 1oAv2inVZG0
InChI InChI=1S/C17H18O3/c1-10(2)16(4)9-17(11(3)18)14(16)12-7-5-6-8-13(12)20-15(17)19/h5-8,14H,1,9H2,2-4H3
InChIKey HEJVIGHIZGAIBS-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDzrfYFUSHl
Name 3H-Benzo[b]cyclobuta[d]pyran-3-one, 2a-acetyl-1,2,2a,8b-tetrahydro-1-methyl-1-(1-methylethenyl)-
CAS Registry Number 59744-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-10(2)16(4)9-17(11(3)18)14(16)12-7-5-6-8-13(12)20-15(17)19/h5-8,14H,1,9H2,2-4H3
InChIKey HEJVIGHIZGAIBS-UHFFFAOYSA-N
Molecular Weight 270.328 g/mol
SMILES C12(C(Oc3c(C2C(C1)(C(=C)C)C)cccc3)=O)C(=O)C
SPLASH splash10-001i-9410000000-3a663c89fbc9d262c779
Source of Spectrum H-59-839-9
Synonyms 2a-acetyl-1-isopropenyl-1-methyl-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one 2a-acetyl-1-isopropenyl-1-methyl-1,2,2a,8b-tetrahydro-cyclobuta(c)cumarin
Wiley ID 1274565