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trans-3,7,7-Trimethylbicyclo(4.1.0)-heptane-2-carbaldehyde
SpectraBase Compound ID H00nxlO7bCC
InChI InChI=1S/C11H18O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h6-10H,4-5H2,1-3H3/t7-,8+,9+,10-/m1/s1
InChIKey WUFJEAHVTVBYPF-XFWSIPNHSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOiHzpcb5Oh
Name trans-3,7,7-Trimethylbicyclo(4.1.0)-heptane-2-carbaldehyde
Alternate Name(s) (1S,2S,3R,6S)-3,7,7-trimethylbicyclo[4.1.0]heptane-2-carbaldehyde
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Formula C11H18O
InChI InChI=1S/C11H18O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h6-10H,4-5H2,1-3H3/t7-,8+,9+,10-/m1/s1
InChIKey WUFJEAHVTVBYPF-XFWSIPNHSA-N
Literature Reference DOI 10.1002/cctc.201200948
Molecular Weight 166.264 g/mol
SMILES CC1(C)[C@]2(CC[C@]([C@@]([C@@]12[H])(C=O)[H])(C)[H])[H]
SPLASH splash10-00m4-9200000000-f9e8e0408cca3339abc1
Source of Spectrum CCC-5-1888-2b_trans
Wiley ID 1787050