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5,6-alpha-hydroxy-benzyl-bicyclo[2.2.1]hept-2-en-5,6-diol
SpectraBase Compound ID xnhCVReXUk
InChI InChI=1S/C21H22O2/c22-20(14-7-3-1-4-8-14)18-16-11-12-17(13-16)19(18)21(23)15-9-5-2-6-10-15/h1-12,16-23H,13H2/t16-,17+,18-,19+,20-,21+
InChIKey VNZJRGWMHCYVFF-RCPZPFRWSA-N
Mol Weight 306.4 g/mol
Molecular Formula C21H22O2
Exact Mass 306.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJkbksXWqow
Name 5,6-alpha-hydroxy-benzyl-bicyclo[2.2.1]hept-2-en-5,6-diol
Alternate Name(s) (R)-[3-((S)-Hydroxy-phenyl-methyl)-bicyclo[2.2.1]hept-5-en-2-yl]-phenyl-methanol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O2
InChI InChI=1S/C21H22O2/c22-20(14-7-3-1-4-8-14)18-16-11-12-17(13-16)19(18)21(23)15-9-5-2-6-10-15/h1-12,16-23H,13H2/t16-,17+,18-,19+,20-,21+
InChIKey VNZJRGWMHCYVFF-RCPZPFRWSA-N
Molecular Weight 306.405 g/mol
SMILES O[C@@]([C@]1([C@@]([C@](c2ccccc2)(O)[H])([C@@]2(C[C@]1(C=C2)[H])[H])[H])[H])(c1ccccc1)[H]
SPLASH splash10-004i-9010000000-cf809bd6ab8ebf6482b0
Source of Spectrum J-63-7690-2e
Wiley ID 1286422