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7-Tridecanone, 6-(acetyloxy)-
SpectraBase Compound ID DxYuPa6QM2Z
InChI InChI=1S/C15H28O3/c1-4-6-8-10-11-14(17)15(18-13(3)16)12-9-7-5-2/h15H,4-12H2,1-3H3
InChIKey IBORWRMUSHRDKV-UHFFFAOYSA-N
Mol Weight 256.39 g/mol
Molecular Formula C15H28O3
Exact Mass 256.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IE4iFb08DuU
Name 7-Tridecanone, 6-(acetyloxy)-
Alternate Name(s) 2-Oxo-1-pentyloctyl acetate 6-Acetoxy-2-methyl-3-nonanone
CAS Registry Number 105824-00-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H28O3
InChI InChI=1S/C15H28O3/c1-4-6-8-10-11-14(17)15(18-13(3)16)12-9-7-5-2/h15H,4-12H2,1-3H3
InChIKey IBORWRMUSHRDKV-UHFFFAOYSA-N
Molecular Weight 256.386 g/mol
SMILES C(OC(C(=O)CCCCCC)CCCCC)(=O)C
SPLASH splash10-01ox-9600000000-9f575b2652730c517fea
Source of Spectrum AJ-59-948-2
Wiley ID 1259970