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Cycloocta[c]furan, 1,3,3a,6,7,9a-hexahydro-6,7-dimethyl-, (3a.alpha.,6.alpha.,7.beta.,9a.alpha.)-
SpectraBase Compound ID 6xUJ64BjChi
InChI InChI=1S/C12H18O/c1-9-3-5-11-7-13-8-12(11)6-4-10(9)2/h3-6,9-12H,7-8H2,1-2H3/b5-3-,6-4-/t9-,10-,11-,12+/m0/s1
InChIKey SUNDBMNJFBRNAW-MSZONMMYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZDshNzitof
Name Cycloocta[c]furan, 1,3,3a,6,7,9a-hexahydro-6,7-dimethyl-, (3a.alpha.,6.alpha.,7.beta.,9a.alpha.)-
CAS Registry Number 131613-25-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-9-3-5-11-7-13-8-12(11)6-4-10(9)2/h3-6,9-12H,7-8H2,1-2H3/b5-3-,6-4-/t9-,10-,11-,12+/m0/s1
InChIKey SUNDBMNJFBRNAW-MSZONMMYSA-N
Molecular Weight 178.275 g/mol
SMILES [C@@]1(\C=C/[C@]2([C@@](\C=C/[C@@]1(C)[H])(COC2)[H])[H])(C)[H]
SPLASH splash10-056u-9400000000-401975511a6fa3344718
Source of Spectrum C-113-664-24
Synonyms (2.alpha.,6.alpha.)-cis-9,10-dimethyl-4-oxateracyclo[6.3.0.0(2,6).0(7,11)]undecane (3aR,6S,7S,9aS)-6,7-dimethyl-1,3,3a,6,7,9a-hexahydrocycloocta[c]furan
Wiley ID 1174765