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Chrysanthemyl alcohol, o-acetyl- (stereoisomer 2)

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Chrysanthemyl alcohol, o-acetyl- (stereoisomer 2)
SpectraBase Compound ID 2JEezUOAHkH
InChI InChI=1S/C12H20O2/c1-8(2)6-10-11(12(10,4)5)7-14-9(3)13/h6,10-11H,7H2,1-5H3
InChIKey OTWVMTYIYNDIOQ-UHFFFAOYSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FD9VlHKXsCo
Name Chrysanthemyl alcohol, o-acetyl- (stereoisomer 2)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-8(2)6-10-11(12(10,4)5)7-14-9(3)13/h6,10-11H,7H2,1-5H3
InChIKey OTWVMTYIYNDIOQ-UHFFFAOYSA-N
Molecular Weight 196.290 g/mol
SMILES CC(=CC1C(COC(C)=O)C1(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84906