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1H-3a,6-Methanoazulen-7(4H)-one, hexahydro-3-methyl-, [3R-(3.alpha.,3a.alpha.,6.alpha.,8a.alpha.)]-
SpectraBase Compound ID LGrKkqIl3Mv
InChI InChI=1S/C12H18O/c1-8-2-3-10-6-11(13)9-4-5-12(8,10)7-9/h8-10H,2-7H2,1H3/t8-,9?,10+,12-/m1/s1
InChIKey BCLSRIQIXPLBIW-WSVRWTTQSA-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 96fYSUnzTv9
Name 1H-3a,6-Methanoazulen-7(4H)-one, hexahydro-3-methyl-, [3R-(3.alpha.,3a.alpha.,6.alpha.,8a.alpha.)]-
CAS Registry Number 75801-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-8-2-3-10-6-11(13)9-4-5-12(8,10)7-9/h8-10H,2-7H2,1H3/t8-,9?,10+,12-/m1/s1
InChIKey BCLSRIQIXPLBIW-WSVRWTTQSA-N
Molecular Weight 178.275 g/mol
SMILES [C@]123CC(CC3)C(C[C@@]1(CC[C@]2(C)[H])[H])=O
SPLASH splash10-0563-6900000000-087c51e39a91c0d84394
Source of Spectrum F-46-772-46
Synonyms (1R,2R,5S)-2-methyltricyclo[6.2.1.0(1,5)]undecan-7-one (1R,2R,5S)-7-oxo-2-methyltricyclo[6,2,1,0(1,5)]-undecane
Wiley ID 1174700