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(3S)-Dihydrocitronellyl acetate

View entire compound with spectra: 2 MS (GC)

(3S)-Dihydrocitronellyl acetate
SpectraBase Compound ID Kjo7jlO4SC
InChI InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKey XFPXWDJICXBWRU-NSHDSACASA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xFtoFNGeLn
Name (3S)-Dihydrocitronellyl acetate
Classification Fatty alcohol esters
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 200.177630011 u
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKey XFPXWDJICXBWRU-NSHDSACASA-N
Molecular Weight 200.322 g/mol
Number of Peaks 14
SMILES C(CC[C@@](CCOC(C)=O)(C)[H])C(C)C
SPLASH splash10-0a4l-9000000000-d6985e2772d6832cd3f3
Source of Spectrum FF-19-123-(3S)_10 (DOI: 10.1002/ffj.1280)
Synonyms (S)-3,7-dimethyloctyl acetate [(3S)-3,7-dimethyloctyl] acetate [(3S)-3,7-dimethyloctyl] ethanoate
Wiley ID 1775343