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Isoamyl angelate
SpectraBase Compound ID 70bwMTntF47
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-UITAMQMPSA-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 50Al0mElKS
Name Isoamyl angelate
CAS Registry Number 10482-55-0
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 170.130679818 u
Formula C10H18O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
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-UITAMQMPSA-N
Molecular Weight 170.252 g/mol
Nominal Mass 170 u
Number of Peaks 55
SMILES C(CCOC(\C(=C/C)C)=O)(C)C
SPLASH splash10-0znc-9300000000-6666f77c542cee798c5a
Source ex SODA AROMATICS ex JJ BROPHY
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000720