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Santolinyl acetate
SpectraBase Compound ID 9fAUvtF4Wg3
InChI InChI=1S/C12H20O2/c1-7-11(8-9(2)3)12(5,6)14-10(4)13/h7-8,11H,1H2,2-6H3/t11-/m0/s1
InChIKey NHUKUXHBUOLLAY-NSHDSACASA-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 B1n9Yfo19KC
Name Santolinyl acetate
CAS Registry Number 79507-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C12H20O2/c1-7-11(8-9(2)3)12(5,6)14-10(4)13/h7-8,11H,1H2,2-6H3/t11-/m0/s1
InChIKey NHUKUXHBUOLLAY-NSHDSACASA-N
Molecular Weight 196.290 g/mol
SMILES CC(=O)OC([C@](C=C(C)C)(C=C)[H])(C)C
SPLASH splash10-0006-9100000000-5307e49da3e49981f864
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886990