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rel-(4R,8R,9R)-2,6,9,9-Trimethyltricyclo[6.3.0.0(4,8)]undec-1-en-3-one
SpectraBase Compound ID JshRFdi4MCb
InChI InChI=1S/C15H22O/c1-9-5-6-11-10(2)13(16)12-7-14(3,4)8-15(9,11)12/h9,12H,5-8H2,1-4H3/t9-,12+,15+/m1/s1
InChIKey WSCAXPOIQPSOST-LYSGOOTNSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F11M25WYo4a
Name rel-(4R,8R,9R)-2,6,9,9-Trimethyltricyclo[6.3.0.0(4,8)]undec-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-9-5-6-11-10(2)13(16)12-7-14(3,4)8-15(9,11)12/h9,12H,5-8H2,1-4H3/t9-,12+,15+/m1/s1
InChIKey WSCAXPOIQPSOST-LYSGOOTNSA-N
Molecular Weight 218.340 g/mol
SMILES [C@@]123C(=C(C)C([C@@]3(CC(C1)(C)C)[H])=O)CC[C@]2(C)[H]
SPLASH splash10-0229-0920000000-3a1ff9d70e4adb791f02
Source of Spectrum J-59-109-17
Synonyms (1R,5aR,8R)-2,2,8-Trimethyl-1,2,3,3a,7,8-hexahydro-6H-cyclopenta[c]pentalen-4-one (3aR,8aR)-2,5,8,8-tetramethyl-1,2,3,3a,7,8-hexahydrocyclopenta[c]pentalen-4(6H)-one
Wiley ID 1218413