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Ethanone, 1-[3-methyl-2-(3-methyl-2-butenyl)-3-cyclohexen-1-yl]-, trans-
SpectraBase Compound ID FP7lEztesed
InChI InChI=1S/C14H22O/c1-10(2)8-9-13-11(3)6-5-7-14(13)12(4)15/h6,8,13-14H,5,7,9H2,1-4H3/t13-,14+/m1/s1
InChIKey ZHYAKXDSFODDQC-KGLIPLIRSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 82HfywtYLOj
Name Ethanone, 1-[3-methyl-2-(3-methyl-2-butenyl)-3-cyclohexen-1-yl]-, trans-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.167065327 u
Formula C14H22O
InChI InChI=1S/C14H22O/c1-10(2)8-9-13-11(3)6-5-7-14(13)12(4)15/h6,8,13-14H,5,7,9H2,1-4H3/t13-,14+/m1/s1
InChIKey ZHYAKXDSFODDQC-KGLIPLIRSA-N
Molecular Weight 206.329 g/mol
SMILES [C@]1([C@](C(=O)C)(CCC=C1C)[H])(CC=C(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971213