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(Z)-Tagetone
SpectraBase Compound ID UpQRSd2yX9
InChI InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3/b9-7-
InChIKey RJXKHBTYHGBOKV-CLFYSBASSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9R9JgOD3Rf
Name (Z)-Tagetone
Alternate Name(s) Tagetone
CAS Registry Number 3588-18-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3/b9-7-
InChIKey RJXKHBTYHGBOKV-CLFYSBASSA-N
Molecular Weight 152.237 g/mol
SMILES CC(C)CC(=O)\C=C/(C=C)C
SPLASH splash10-00kb-9200000000-c66dd6083da5bbd25721
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887827