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PELLITORINE;N-ISOBUTYL-2E,4E-DECADIENAMIDE
SpectraBase Compound ID ISUGy6lY6Zj
InChI InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+
InChIKey MAGQQZHFHJDIRE-BNFZFUHLSA-N
Mol Weight 223.36 g/mol
Molecular Formula C14H25NO
Exact Mass 223.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCAWbqsTkTD
Name Pellitorine
CAS Registry Number 18836-52-7
Classification Plant ingredient of Anacyclus pyrethrum
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 223.193614428 u
Formula C14H25NO
InChI InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+
InChIKey MAGQQZHFHJDIRE-BNFZFUHLSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 223.360 g/mol
Nominal Mass 223 u
Quality 988
Retention Index 1629
SMILES C(NCC(C)C)(\C=C\C=C\CCCCC)=O
SPLASH splash10-0udj-9600000000-903657a10314335b8058
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
Technique GC/MS
Wiley ID DD2024_034572