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3(R*)-methyl-2(R*)-isopropylcyclopentanone
SpectraBase Compound ID 57ybXcoXI5n
InChI InChI=1S/C9H16O/c1-6(2)9-7(3)4-5-8(9)10/h6-7,9H,4-5H2,1-3H3/t7-,9-/m1/s1
InChIKey DIPHNTQKWNMMPU-VXNVDRBHSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zRtbQe1U8
Name 3(R*)-methyl-2(R*)-isopropylcyclopentanone
Alternate Name(s) (2R,3R)-2-isopropyl-3-methylcyclopentanone
CAS Registry Number 122330-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O
InChI InChI=1S/C9H16O/c1-6(2)9-7(3)4-5-8(9)10/h6-7,9H,4-5H2,1-3H3/t7-,9-/m1/s1
InChIKey DIPHNTQKWNMMPU-VXNVDRBHSA-N
Molecular Weight 140.226 g/mol
SMILES C1([C@@]([C@](C)(CC1)[H])(C(C)C)[H])=O
SPLASH splash10-001m-9600000000-1af30b315771d8550521
Source of Spectrum J-54-3989-7
Wiley ID 1139781