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(-)-(R)-3-Acetoxy-3,7-dimethylocta-1,6-diene
SpectraBase Compound ID IwaI61sh5XR
InChI InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1
InChIKey UWKAYLJWKGQEPM-LBPRGKRZSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lHUDqckCXY
Name Linalyl acetate
CAS Registry Number 115-95-7
Classification Scent in perfumes, cosmetics, soaps and candles
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1
InChIKey UWKAYLJWKGQEPM-LBPRGKRZSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 196.290 g/mol
Nominal Mass 196 u
Quality 1000
Retention Index 1366
SMILES [C@](OC(=O)C)(CCC=C(C)C)(C=C)C
SPLASH splash10-0006-9000000000-90c20ede517705bbd506
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Bergamol Linalol acetate (3R)-3,7-dimethylocta-1,6-dien-3-yl acetate
Technique GC/MS
Wiley ID DD2024_007537