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Cycloheptanone, 3-(3,3-dimethylbutyl)-5-methyl-
SpectraBase Compound ID kb5ipppUzg
InChI InChI=1S/C14H26O/c1-11-5-6-13(15)10-12(9-11)7-8-14(2,3)4/h11-12H,5-10H2,1-4H3
InChIKey ZIRYIDSEKRVWEF-UHFFFAOYSA-N
Mol Weight 210.36 g/mol
Molecular Formula C14H26O
Exact Mass 210.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5TZ1N3c7ARO
Name Cycloheptanone, 3-(3,3-dimethylbutyl)-5-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.198365456 u
Formula C14H26O
InChI InChI=1S/C14H26O/c1-11-5-6-13(15)10-12(9-11)7-8-14(2,3)4/h11-12H,5-10H2,1-4H3
InChIKey ZIRYIDSEKRVWEF-UHFFFAOYSA-N
Molecular Weight 210.361 g/mol
SMILES C(CC(C)(C)C)C1CC(C)CCC(C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927277