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3,3'-Dihydroxymethyl-1,1'-biazulene
SpectraBase Compound ID I1IrvMNsC5D
InChI InChI=1S/C22H18O2/c23-13-15-11-21(19-9-5-1-3-7-17(15)19)22-12-16(14-24)18-8-4-2-6-10-20(18)22/h1-12,23-24H,13-14H2
InChIKey LERXPOHIGMBTJD-UHFFFAOYSA-N
Mol Weight 314.38 g/mol
Molecular Formula C22H18O2
Exact Mass 314.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zJUhvqbBo
Name 3,3'-Dihydroxymethyl-1,1'-biazulene
Appearance Green-black solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.130679818 u
Formula C22H18O2
InChI InChI=1S/C22H18O2/c23-13-15-11-21(19-9-5-1-3-7-17(15)19)22-12-16(14-24)18-8-4-2-6-10-20(18)22/h1-12,23-24H,13-14H2
InChIKey LERXPOHIGMBTJD-UHFFFAOYSA-N
Instrument Name Finnigan MAT 311-A/100 MS
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.215
Quality 93
SMILES OCC1=C2C(C(C=3C=4C(=C(CO)C3)C=CC=CC4)=C1)=CC=CC=C2
SPLASH splash10-0fsi-0190000000-62cca8adc9ee1d4ce7be
Source of Spectrum ARK-2002-150-12 (DOI: 10.3998/ark.5550190.0003.215)
Wiley ID 1904603