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2-Tridecanone
SpectraBase Compound ID Ci6mYp7lh5X
InChI InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
InChIKey CYIFVRUOHKNECG-UHFFFAOYSA-N
Mol Weight 198.35 g/mol
Molecular Formula C13H26O
Exact Mass 198.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13rdR877JTS
Name 2-Tridecanone
Alternate Name(s) Tridecanone<2->
CAS Registry Number 593-08-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O
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/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
InChIKey CYIFVRUOHKNECG-UHFFFAOYSA-N
Molecular Weight 198.350 g/mol
SMILES C(CCCCCCCC)CCC(C)=O
SPLASH splash10-0a4l-9000000000-da280f253884a790d41e
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887870