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Acetoxy-Cembra-1,3,7,11-tetraene
SpectraBase Compound ID ArMclELM2t8
InChI InChI=1S/C22H34O2/c1-16(2)21-14-13-18(4)11-7-9-17(3)10-8-12-19(5)15-22(21)24-20(6)23/h9,12-14,16,22H,7-8,10-11,15H2,1-6H3/b17-9+,18-13+,19-12+,21-14-/t22-/m1/s1
InChIKey NQBWCMIADAARIG-XUJCLUHJSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUvBXAPHclY
Name Acetoxy-Cembra-1,3,7,11-tetraene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-16(2)21-14-13-18(4)11-7-9-17(3)10-8-12-19(5)15-22(21)24-20(6)23/h9,12-14,16,22H,7-8,10-11,15H2,1-6H3/b17-9+,18-13+,19-12+,21-14-/t22-/m1/s1
InChIKey NQBWCMIADAARIG-XUJCLUHJSA-N
Molecular Weight 330.512 g/mol
SMILES [C@@]1(\C(=C/C=C/(CC\C=C\(CC\C=C\(C1)C)C)C)C(C)C)(OC(=O)C)[H]
SPLASH splash10-0a4i-0900000000-31179448c7b31b659fa5
Source of Spectrum X2-54-1015-3
Synonyms (1R)-2-isopropyl-5,9,13-trimethyl-2,4,8,12-cyclotetradecatetraen-1-yl acetate
Wiley ID 1604147