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2-[7-(dideuterohydroxymethyl)-3,11-dimethyl-2,6,10-dodecatrienyl]benzo-1,4-quinone
SpectraBase Compound ID JZxqhALYadN
InChI InChI=1S/C21H28O3/c1-16(2)6-4-8-18(15-22)9-5-7-17(3)10-11-19-14-20(23)12-13-21(19)24/h6,9-10,12-14,22H,4-5,7-8,11,15H2,1-3H3/b17-10+,18-9-/i15D2
InChIKey CLCTUIVWEBIWGT-VNPPEFFYSA-N
Mol Weight 330.46 g/mol
Molecular Formula C21H26D2O3
Exact Mass 330.216398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZiTFeNqhk5
Name 2-[7-(dideuterohydroxymethyl)-3,11-dimethyl-2,6,10-dodecatrienyl]benzo-1,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26D2O3
InChI InChI=1S/C21H28O3/c1-16(2)6-4-8-18(15-22)9-5-7-17(3)10-11-19-14-20(23)12-13-21(19)24/h6,9-10,12-14,22H,4-5,7-8,11,15H2,1-3H3/b17-10+,18-9-/i15D2
InChIKey CLCTUIVWEBIWGT-VNPPEFFYSA-N
Molecular Weight 330.464 g/mol
SMILES OC(\C(=C/CC\C(=C\CC=1C(C=CC(C1)=O)=O)C)CCC=C(C)C)([D])[D]
SPLASH splash10-02tc-9710000000-d896beb55d703d4ae3ee
Wiley ID 1485962