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trans-3,7,7-Trimethylbicyclo(4.1.0)-heptane-4-carbaldehyde
SpectraBase Compound ID cQTulQzE4
InChI InChI=1S/C11H18O/c1-7-4-9-10(11(9,2)3)5-8(7)6-12/h6-10H,4-5H2,1-3H3/t7-,8+,9+,10-/m1/s1
InChIKey KUMFUECLVYOXGL-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 8mWyV8rCKzb
Name trans-3,7,7-Trimethylbicyclo(4.1.0)-heptane-4-carbaldehyde
Alternate Name(s) (1R,3R,4R,6S)-4,7,7-trimethylbicyclo[4.1.0]heptane-3-carbaldehyde
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Formula C11H18O
InChI InChI=1S/C11H18O/c1-7-4-9-10(11(9,2)3)5-8(7)6-12/h6-10H,4-5H2,1-3H3/t7-,8+,9+,10-/m1/s1
InChIKey KUMFUECLVYOXGL-XFWSIPNHSA-N
Literature Reference DOI 10.1002/cctc.201200948
Molecular Weight 166.264 g/mol
SMILES CC1(C)[C@@]2(C[C@]([C@@](C[C@]12[H])(C)[H])(C=O)[H])[H]
SPLASH splash10-0006-9300000000-ddda93da33b1abfef1ec
Source of Spectrum CCC-5-1888-1b_trans
Wiley ID 1787047