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2-(7-Hydroxymethyl-3,11-dimethyl-dodeca-2,6,10-trienyl)-[1,4]benzoquinone
SpectraBase Compound ID FiKSRRdzfvL
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-
InChIKey CLCTUIVWEBIWGT-ASKQTUSVSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LOzDL8m9Az
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H26O3D2
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-
InChIKey CLCTUIVWEBIWGT-ASKQTUSVSA-N
Molecular Weight 328.2031
SMILES OC\C(CCC=C(C)C)=C/CC\C(C)=C\CC1=CC(=O)C=CC1=O
SPLASH splash10-02tc-9710000000-d896beb55d703d4ae3ee
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany