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trans-1,2-trans-9,10-Tetrahydroxy-1,2,9,10-tetrahydrobenzo[c]chrysene

View entire compound with spectra: 1 MS (GC)

trans-1,2-trans-9,10-Tetrahydroxy-1,2,9,10-tetrahydrobenzo[c]chrysene
SpectraBase Compound ID AevNfMxYtAQ
InChI InChI=1S/C22H18O4/c23-18-9-7-13-12-3-1-11-2-4-17-15(8-10-19(24)22(17)26)20(11)14(12)5-6-16(13)21(18)25/h1-10,18-19,21-26H/t18-,19-,21-,22-/m1/s1
InChIKey KWBGCVNJMBGQEA-UGESXGAOSA-N
Mol Weight 346.38 g/mol
Molecular Formula C22H18O4
Exact Mass 346.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XzsFXmzMZJ
Name trans-1,2-trans-9,10-Tetrahydroxy-1,2,9,10-tetrahydrobenzo[c]chrysene
Alternate Name(s) (1R,2R,9R,10R)-1,2,9,10-Tetrahydro-benzo[c]chrysene-1,2,9,10-tetraol (9S,10S)-3,4,9,10-tetrahydrobenzo[c]chrysene-3,4,9,10-tetrol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O4
InChI InChI=1S/C22H18O4/c23-18-9-7-13-12-3-1-11-2-4-17-15(8-10-19(24)22(17)26)20(11)14(12)5-6-16(13)21(18)25/h1-10,18-19,21-26H/t18-,19-,21-,22-/m1/s1
InChIKey KWBGCVNJMBGQEA-UGESXGAOSA-N
Molecular Weight 346.382 g/mol
SMILES O[C@]1([C@@](c2c(c3c4ccc5[C@]([C@@](C=Cc5c4ccc3cc2)(O)[H])(O)[H])C=C1)(O)[H])[H]
SPLASH splash10-03di-0009000000-05f05332586919719c18
Source of Spectrum J-63-8123-6
Wiley ID 1339566