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(2a.alpha.,2b.alpha.,3.beta.,6.beta.,6a.alpha.,6b.alpha.)-2a,2b,3,6,6a,6b-Hexahydro-2a,6a-dimethyl-3,6-epoxycycloprop[cd]azulene
SpectraBase Compound ID 6xFBlE1z6u9
InChI InChI=1S/C12H14O/c1-11-5-6-12(2)9(10(11)12)7-3-4-8(11)13-7/h3-10H,1-2H3/t7-,8+,9-,10-,11+,12-/m0/s1
InChIKey ITYDZLGXRVUOGI-ROUNHJLISA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRHkqV36L1L
Name (2a.alpha.,2b.alpha.,3.beta.,6.beta.,6a.alpha.,6b.alpha.)-2a,2b,3,6,6a,6b-Hexahydro-2a,6a-dimethyl-3,6-epoxycycloprop[cd]azulene
Alternate Name(s) (1S,2S,3R,4R,7S,8R)-4,7-dimethyl-11-oxatetracyclo[6.2.1.0(2,4).0(3,7)]undeca-5,9-diene
CAS Registry Number 55164-99-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c1-11-5-6-12(2)9(10(11)12)7-3-4-8(11)13-7/h3-10H,1-2H3/t7-,8+,9-,10-,11+,12-/m0/s1
InChIKey ITYDZLGXRVUOGI-ROUNHJLISA-N
Molecular Weight 174.243 g/mol
SMILES [C@@]12([C@@]3([C@]([C@@]4(O[C@]([C@]23[H])(C=C4)[H])[H])(C)C=C1)[H])C
SPLASH splash10-0a4i-0900000000-ac946ea2c615ceda14ab
Source of Spectrum J-46-2678-0
Wiley ID 1171014