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2-ethylbutyric acid, allyl ester
SpectraBase Compound ID soBDQgglkH
InChI InChI=1S/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3
InChIKey NBKXNUWCFMZFMM-UHFFFAOYSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZ44yJmsfQr
Name Butyrate <2-ethyl-, allyl->
Source of Sample SAFC Cat.no. W202908
CAS Registry Number 7493-69-8
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 156.115029753 u
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3
InChIKey NBKXNUWCFMZFMM-UHFFFAOYSA-N
Molecular Weight 156.225 g/mol
Number of Peaks 50
RI1 1013
RI2 684
RI3 631
RI4 586
RI5 1001
SMILES C=CCOC(C(CC)CC)=O
SPLASH splash10-006x-9000000000-47dd41bc75c12d81113e
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Butanoic acid, 2-ethyl-, 2-propenyl ester
Wiley ID LM_FFNSC3_11