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3(R*)-methyl-2(R*)-isopropylcyclopentanone

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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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L1mBCsYTU15
Name 3(R*)-Methyl-2(R*)-isopropylcyclopentanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 140.120115134 u
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
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912251