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Incensol acetate
SpectraBase Compound ID 3GXjH3paCIl
InChI InChI=1S/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8+,18-12+
InChIKey HVBACKJYWZTKCA-NVJLSHBWSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17rF6RAoHw
Name Incensol acetate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 348.266445016 u
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8+,18-12+
InChIKey HVBACKJYWZTKCA-NVJLSHBWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 348.527 g/mol
Nominal Mass 348 u
Quality 997
Retention Index 2186
SMILES C12(OC(C(OC(=O)C)CC\C(=C\CC\C(=C\C2)C)C)(CC1)C)C(C)C
SPLASH splash10-0fg6-4910000000-06ae8871fbaf0377d1f6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (5E,9E)-1,5,9-Trimethyl-12-(propan-2-yl)-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl acetate
Technique GC/MS
Wiley ID DD2024_029470