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4a,7-Methano-4aH-benzocycloheptene-2,10(1H)-dione, octahydro-3,6,6-trimethyl-, (3.alpha.,4a.beta.,7.beta.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID LSybQ5YNqw5
InChI InChI=1S/C15H22O2/c1-9-7-15-8-14(2,3)11(13(15)17)5-4-10(15)6-12(9)16/h9-11H,4-8H2,1-3H3/t9-,10+,11-,15+/m1/s1
InChIKey LKLCSFSTAMKUDE-RSQPEXBXSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hR5rb2T21j
Name 4a,7-Methano-4aH-benzocycloheptene-2,10(1H)-dione, octahydro-3,6,6-trimethyl-, (3.alpha.,4a.beta.,7.beta.,9a.alpha.)-(.+-.)-
CAS Registry Number 85083-97-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-9-7-15-8-14(2,3)11(13(15)17)5-4-10(15)6-12(9)16/h9-11H,4-8H2,1-3H3/t9-,10+,11-,15+/m1/s1
InChIKey LKLCSFSTAMKUDE-RSQPEXBXSA-N
Molecular Weight 234.339 g/mol
SMILES [C@]123C([C@]([H])(C(C3)(C)C)CC[C@]1(CC(=O)[C@@](C2)(C)[H])[H])=O
SPLASH splash10-0f6x-9080000000-7460eee3c6aaf0074a8e
Source of Spectrum F-39-3243-0
Synonyms (1R+,3R+,6R+,9R+)-3,10,10-trimethyl-12-oxotricyclo[7.2.1.0]dodec-4-one (1S,3R,6S,9S)-3,10,10-trimethyltricyclo[7.2.1.0(1,6)]dodecane-4,12-dione
Wiley ID 1236362