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trans-2,2-Di(9-phenanthrylmethyl)-1,3-indanediol

View entire compound with spectra: 1 MS (GC)

trans-2,2-Di(9-phenanthrylmethyl)-1,3-indanediol
SpectraBase Compound ID 1m4rTnrS0sc
InChI InChI=1S/C39H30O2/c40-37-35-19-9-10-20-36(35)38(41)39(37,23-27-21-25-11-1-3-13-29(25)33-17-7-5-15-31(27)33)24-28-22-26-12-2-4-14-30(26)34-18-8-6-16-32(28)34/h1-22,37-38,40-41H,23-24H2/t37-,38-/m0/s1
InChIKey BXQUYYKCCSMCPO-UWXQCODUSA-N
Mol Weight 530.7 g/mol
Molecular Formula C39H30O2
Exact Mass 530.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FrGkx4qtk0
Name trans-2,2-Di(9-phenanthrylmethyl)-1,3-indanediol
Alternate Name(s) (1S,3S)-2,2-bis(phenanthren-9-ylmethyl)-2,3-dihydro-1H-indene-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H30O2
InChI InChI=1S/C39H30O2/c40-37-35-19-9-10-20-36(35)38(41)39(37,23-27-21-25-11-1-3-13-29(25)33-17-7-5-15-31(27)33)24-28-22-26-12-2-4-14-30(26)34-18-8-6-16-32(28)34/h1-22,37-38,40-41H,23-24H2/t37-,38-/m0/s1
InChIKey BXQUYYKCCSMCPO-UWXQCODUSA-N
Molecular Weight 530.667 g/mol
SMILES O[C@@]1(C([C@](c2ccccc12)(O)[H])(Cc1c2c(cccc2)c2c(c1)cccc2)Cc1c2c(cccc2)c2c(c1)cccc2)[H]
SPLASH splash10-0006-0903000000-8d516de4b4294eeb00a1
Source of Spectrum U1-2014-63-17
Wiley ID 1740574