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Cyclandelate
SpectraBase Compound ID Hf8j4sKkAKn
InChI InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3
InChIKey WZHCOOQXZCIUNC-UHFFFAOYSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2keGMClLAq2
Name Cyclandelate
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3
InChIKey WZHCOOQXZCIUNC-UHFFFAOYSA-N
SMILES OC(c1ccccc1)C(=O)OC1CC(CC(C1)C)(C)C
SPLASH splash10-0ar0-9700000000-76b29a3b44fd385f89d6
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences