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(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanecarboxaldehyde
SpectraBase Compound ID BGBvhAUDkwK
InChI InChI=1S/C11H18O/c1-7-8(6-12)4-9-5-10(7)11(9,2)3/h6-10H,4-5H2,1-3H3/t7-,8-,9+,10+/m1/s1
InChIKey VUNCLQCPKWLBRY-IMSYWVGJSA-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 CoPzDUpfbBd
Name (1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanecarboxaldehyde
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-7-8(6-12)4-9-5-10(7)11(9,2)3/h6-10H,4-5H2,1-3H3/t7-,8-,9+,10+/m1/s1
InChIKey VUNCLQCPKWLBRY-IMSYWVGJSA-N
Molecular Weight 166.264 g/mol
SMILES [C@]12(C(C)(C)[C@](C2)(C[C@@]([C@]1(C)[H])(C=O)[H])[H])[H]
SPLASH splash10-06rx-9200000000-aeabdb4a4b0d4e89f209
Source of Spectrum C3-21-1132-8
Synonyms (1R,3S,4S,5S)-4,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde (1S,2S,3S,5R)-2,6,6-trimethylnorpinane-3-carbaldehyde
Wiley ID 879492