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(3S)-Citronellylnitrile
SpectraBase Compound ID I0QUCNaEKbj
InChI InChI=1S/C10H17N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-7H2,1-3H3/t10-/m0/s1
InChIKey MTDAKBBUYMYKAR-JTQLQIEISA-N
Mol Weight 151.25 g/mol
Molecular Formula C10H17N
Exact Mass 151.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qOU2pkpfZl
Name (3S)-Citronellylnitrile
Alternate Name(s) (S)-3,7-dimethyloct-6-enenitrile (3S)-3,7-dimethyl-6-octenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17N
InChI InChI=1S/C10H17N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-7H2,1-3H3/t10-/m0/s1
InChIKey MTDAKBBUYMYKAR-JTQLQIEISA-N
Literature Reference DOI 10.1002/ffj.1280
Molecular Weight 151.253 g/mol
SMILES C(=C(C)C)CC[C@](C)(CC#N)[H]
SPLASH splash10-014l-9300000000-792fa2be6aba0727844e
Source of Spectrum FF-19-122-(3S)_6
Wiley ID 1775349