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3a,6-Methano-3aH-cyclohepta[b]furan-2(3H)-one, hexahydro-6-methyl-, (3a.alpha.,6.alpha.,8a.beta.)-
SpectraBase Compound ID I1IvTj8Yygl
InChI InChI=1S/C11H16O2/c1-10-3-2-8-11(7-10,5-4-10)6-9(12)13-8/h8H,2-7H2,1H3/t8-,10+,11+/m0/s1
InChIKey LLLQVRQPXFMPDT-JMJZKYOTSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2w9GG5BcjP1
Name 3a,6-Methano-3aH-cyclohepta[b]furan-2(3H)-one, hexahydro-6-methyl-, (3a.alpha.,6.alpha.,8a.beta.)-
CAS Registry Number 108376-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-10-3-2-8-11(7-10,5-4-10)6-9(12)13-8/h8H,2-7H2,1H3/t8-,10+,11+/m0/s1
InChIKey LLLQVRQPXFMPDT-JMJZKYOTSA-N
Molecular Weight 180.247 g/mol
SMILES [C@@]123[C@@](OC(C3)=O)(CC[C@](C1)(C)CC2)[H]
SPLASH splash10-054o-9300000000-7382ab114c5ec75f568d
Source of Spectrum H-69-1003-7
Synonyms (1S,5S,8S)-8-methyl-4-oxatricyclo[6.2.1.0(1,5)]undecan-3-one 8-Methyl-4-oxatricyclo[6.2.1.0(1,5)]undecan-3-one
Wiley ID 1176557