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1H-1,3b-Methanocyclobuta[1,2:3,4]dicyclopenten-7-one, 6a-(acetyloxy)octahydro-, (1.alpha.,3a.beta.,3b.alpha.,6a.beta.,6b.beta.)-(.+-.)-
SpectraBase Compound ID 76oF2dgJNig
InChI InChI=1S/C13H16O3/c1-7(14)16-13-6-2-5-12(13)9-4-3-8(10(9)13)11(12)15/h8-10H,2-6H2,1H3
InChIKey GRGXLTNVDNGPRQ-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qY2ziWnOeQ
Name 1H-1,3b-Methanocyclobuta[1,2:3,4]dicyclopenten-7-one, 6a-(acetyloxy)octahydro-, (1.alpha.,3a.beta.,3b.alpha.,6a.beta.,6b.beta.)-(.+-.)-
CAS Registry Number 91927-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-7(14)16-13-6-2-5-12(13)9-4-3-8(10(9)13)11(12)15/h8-10H,2-6H2,1H3
InChIKey GRGXLTNVDNGPRQ-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES C123C(OC(=O)C)(CCC3)C3C1CCC3C2=O
SPLASH splash10-005c-5900000000-1d7ae5f4ffe5f42102b2
Source of Spectrum H-67-1161-0
Synonyms 11-oxotetracyclo[5.4.0.0(1,5).0(6,10)]undec-5-yl acetate 8-Oxotetracyclo[5.4.0.0(2,9).0(3,7)]undec-3-yl acetate
Wiley ID 1219889