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rel-(4R,8R,9R)-6,9,9-Trimethyltricyclo[6.3.0.0(4,8)]undec-1-en-3-one
SpectraBase Compound ID 5GSr29YqDvj
InChI InChI=1S/C14H20O/c1-9-4-5-10-6-12(15)11-7-13(2,3)8-14(9,10)11/h6,9,11H,4-5,7-8H2,1-3H3/t9-,11+,14+/m1/s1
InChIKey WQEFULBSTZRDFL-PUYPPJJSSA-N
Mol Weight 204.31 g/mol
Molecular Formula C14H20O
Exact Mass 204.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43kzEj7zkX6
Name rel-(4R,8R,9R)-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 C14H20O
InChI InChI=1S/C14H20O/c1-9-4-5-10-6-12(15)11-7-13(2,3)8-14(9,10)11/h6,9,11H,4-5,7-8H2,1-3H3/t9-,11+,14+/m1/s1
InChIKey WQEFULBSTZRDFL-PUYPPJJSSA-N
Molecular Weight 204.313 g/mol
SMILES [C@@]123C(=CC([C@@]3(CC(C1)(C)C)[H])=O)CC[C@]2(C)[H]
SPLASH splash10-052e-3910000000-8bfa440b190ec5d4e28c
Source of Spectrum J-59-108-17
Synonyms (3aR,8aR)-2,8,8-trimethyl-1,2,3,3a,7,8-hexahydrocyclopenta[c]pentalen-4(6H)-one (3aR,8R,8aR)-2,2,8-Trimethyl-1,2,3,3a,7,8-hexahydro-6H-cyclopenta[c]pentalen-4-one
Wiley ID 1202418