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(1'S)-3-methyl-5-(2,2,3-trimethylcyclopentan-1-yl)-2-pentanone
SpectraBase Compound ID CCKiCJgF92E
InChI InChI=1S/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h10-11,13H,6-9H2,1-5H3/t10?,11?,13-/m1/s1
InChIKey RXDABADCDDPISE-GCZXYKMCSA-N
Mol Weight 210.36 g/mol
Molecular Formula C14H26O
Exact Mass 210.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tWXDZ7Topu
Name (1'S)-3-methyl-5-(2,2,3-trimethylcyclopentan-1-yl)-2-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O
InChI InChI=1S/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h10-11,13H,6-9H2,1-5H3/t10?,11?,13-/m1/s1
InChIKey RXDABADCDDPISE-GCZXYKMCSA-N
Instrument Name Shimadzu GCMS-QP2010Ultra
Ionization Type EI
Molecular Weight 210.361 g/mol
Optical Rotation [a]D20 = -17.0
SMILES CC(C(CC[C@]1(C(C(CC1)C)(C)C)[H])C)=O
SPLASH splash10-00di-9100000000-c01f59e1a787c6ffebdd
Source of Spectrum WO2015034084A1
Wiley ID 1850544