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(1S*,4R*,8R*)-8-Methyltricyclo[6.4.0.0(1,4)dodecan-5-ones
SpectraBase Compound ID I9QCUaGeVUR
InChI InChI=1S/C13H20O/c1-12-6-2-3-7-13(12)9-4-10(13)11(14)5-8-12/h10H,2-9H2,1H3/t10-,12+,13-/m0/s1
InChIKey KMYPITFAVGHJCD-UHTWSYAYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNEtEKIiCO6
Name (1S*,4R*,8R*)-8-Methyltricyclo[6.4.0.0(1,4)dodecan-5-ones
CAS Registry Number 130605-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-12-6-2-3-7-13(12)9-4-10(13)11(14)5-8-12/h10H,2-9H2,1H3/t10-,12+,13-/m0/s1
InChIKey KMYPITFAVGHJCD-UHTWSYAYSA-N
Molecular Weight 192.302 g/mol
SMILES [C@@]123[C@@](C(=O)CC[C@@]3(C)CCCC1)([H])CC2
SPLASH splash10-03dj-5900000000-b65c338f1a25a9c22c0e
Source of Spectrum J-56-465-11
Synonyms (2aR,5aR,9aS)-5a-methyloctahydro-1H-cyclobuta[d]naphthalen-3(4H)-one
Wiley ID 1189031