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(3S,4S)-3-Isoamyl-3-isopropyl-4-methylcyclopentanone
SpectraBase Compound ID GC0VvajjOS7
InChI InChI=1S/C14H26O/c1-10(2)6-7-14(11(3)4)9-13(15)8-12(14)5/h10-12H,6-9H2,1-5H3/t12-,14-/m0/s1
InChIKey XMTWNCRXVOEIBZ-JSGCOSHPSA-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 HYjhWORaTFr
Name (3S,4S)-3-Isoamyl-3-isopropyl-4-methylcyclopentanone
Alternate Name(s) (3S,4S)-3-isopentyl-3-isopropyl-4-methylcyclopentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O
InChI InChI=1S/C14H26O/c1-10(2)6-7-14(11(3)4)9-13(15)8-12(14)5/h10-12H,6-9H2,1-5H3/t12-,14-/m0/s1
InChIKey XMTWNCRXVOEIBZ-JSGCOSHPSA-N
Molecular Weight 210.361 g/mol
SMILES [C@@]1([C@](CC(C1)=O)(C)[H])(CCC(C)C)C(C)C
SPLASH splash10-014i-9300000000-75a5a0175c719a2e9dbf
Source of Spectrum E2-48-1825-9
Wiley ID 1555512