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Isopulegyl acetate<iso->
SpectraBase Compound ID 6iWYUh60oqc
InChI InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11-,12+/m1/s1
InChIKey HLHIVJRLODSUCI-JLLWLGSASA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSv8ElKr32i
Name Isopulegyl acetate
CAS Registry Number 109010-11-9
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 196.146329882 u
Formula C12H20O2
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/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11-,12+/m1/s1
InChIKey HLHIVJRLODSUCI-JLLWLGSASA-N
Molecular Weight 196.290 g/mol
Nominal Mass 196 u
Number of Peaks 122
SMILES CC(=O)O[C@@]1([C@](CC[C@](C1)(C)[H])(C(=C)C)[H])[H]
SPLASH splash10-0006-9300000000-1756d693f71dede0609c
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000784