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6H-Benzo[b]benzo[3,4]cyclobuta[1,2-d]pyran-6-one, 6a-acetyl-6a,6b,7,8,9,10,10a,10b-octahydro-
SpectraBase Compound ID IoHgcB0s9Jz
InChI InChI=1S/C17H18O3/c1-10(18)17-13-8-4-2-6-11(13)15(17)12-7-3-5-9-14(12)20-16(17)19/h3,5,7,9,11,13,15H,2,4,6,8H2,1H3
InChIKey SRCBGTXZXKHIPW-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 8EsKPUkTli6
Name 6H-Benzo[b]benzo[3,4]cyclobuta[1,2-d]pyran-6-one, 6a-acetyl-6a,6b,7,8,9,10,10a,10b-octahydro-
CAS Registry Number 59744-03-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-10(18)17-13-8-4-2-6-11(13)15(17)12-7-3-5-9-14(12)20-16(17)19/h3,5,7,9,11,13,15H,2,4,6,8H2,1H3
InChIKey SRCBGTXZXKHIPW-UHFFFAOYSA-N
Molecular Weight 270.328 g/mol
SMILES C12(C(Oc3c(C2C2C1CCCC2)cccc3)=O)C(=O)C
SPLASH splash10-009i-2930000000-7b3b6686e83a4681b527
Source of Spectrum H-59-839-11
Synonyms 2a-acetyl-1,2-tetramethylene-1,2,2a,8b-tetrahydro-cyclobuta[c]cumarin 6a-acetyl-6a,6b,7,8,9,10,10a,10b-octahydro-6H-benzo[3,4]cyclobuta[1,2-c]chromen-6-one
Wiley ID 1274564