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2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (E)-
SpectraBase Compound ID BH20Ccs50g4
InChI InChI=1S/C10H18O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5,8H,6-7H2,1-4H3/b9-5+
InChIKey ZARFDQHJMNVNLE-WEVVVXLNSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbiETAMwWiI
Name Isoamyltiglate
CAS Registry Number 41519-18-0
Classification Chemical
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 170.130679818 u
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5,8H,6-7H2,1-4H3/b9-5+
InChIKey ZARFDQHJMNVNLE-WEVVVXLNSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 170.252 g/mol
SMILES CC(C)CCOC(=O)\C(C)=C\C
SPLASH splash10-0pir-9100000000-97972c36600b346a8c34
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_9175