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ZNPJQQNBNWYMLC-XALSLBCYSA-N
SpectraBase Compound ID ety134vRmX
InChI InChI=1S/C14H20O/c1-3-4-11-8(2)12-9-5-6-10(7-9)13(12)14(11)15/h5-6,8-13H,3-4,7H2,1-2H3/t8-,9+,10-,11-,12-,13+/m0/s1
InChIKey ZNPJQQNBNWYMLC-XALSLBCYSA-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 5jmdT8sZGmk
Name (2S,3R,3aS,4S,7R,7aR)-3-Methyl-2-propyl-2,3,3a,4,7,7a-hexahydro-4,7-methano-inden-1-one
Alternate Name(s) (1R,2R,4S,5R,6S,7S)-5-methyl-4-propyltricyclo[5.2.1.0(2,6)]dec-8-en-3-one 3-Methyl-2-propyl-4,7-methanoinden-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O
InChI InChI=1S/C14H20O/c1-3-4-11-8(2)12-9-5-6-10(7-9)13(12)14(11)15/h5-6,8-13H,3-4,7H2,1-2H3/t8-,9+,10-,11-,12-,13+/m0/s1
InChIKey ZNPJQQNBNWYMLC-XALSLBCYSA-N
Molecular Weight 204.313 g/mol
SMILES [C@]12(C([C@@](CCC)([C@@]([C@]2([C@]2(C[C@@]1(C=C2)[H])[H])[H])(C)[H])[H])=O)[H]
SPLASH splash10-00kr-6910000000-42e0bb5d358d6f158f30
Source of Spectrum K1-0-2218-9
Wiley ID 1588797