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(2S)-1-(acetyloxy)-3-(octanoyloxy)propan-2-yl octanoate
SpectraBase Compound ID FLIwOz4h3iN
InChI InChI=1S/C21H38O6/c1-4-6-8-10-12-14-20(23)26-17-19(16-25-18(3)22)27-21(24)15-13-11-9-7-5-2/h19H,4-17H2,1-3H3/t19-/m0/s1
InChIKey JTPWKHMDSHSVHB-IBGZPJMESA-N
Mol Weight 386.5 g/mol
Molecular Formula C21H38O6
Exact Mass 386.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JF96r2WK728
Name (2S)-1-(Acetyloxy)-3-(octanoyloxy)propan-2-yl octanoate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 386.266838938 u
Formula C21H38O6
InChI InChI=1S/C21H38O6/c1-4-6-8-10-12-14-20(23)26-17-19(16-25-18(3)22)27-21(24)15-13-11-9-7-5-2/h19H,4-17H2,1-3H3/t19-/m0/s1
InChIKey JTPWKHMDSHSVHB-IBGZPJMESA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 386.529 g/mol
Nominal Mass 386 u
Quality 994
Retention Index 2702
SMILES [C@](OC(CCCCCCC)=O)(COC(CCCCCCC)=O)(COC(=O)C)[H]
SPLASH splash10-0a6u-9510000000-b65c1f9cb562ddb6e9ca
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (2S)-1-(acetyloxy)-3-(octanoyloxy)propan-2-yl octanoate
Technique GC/MS
Wiley ID DD2024_033165