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Thymolphthaleine TMS
SpectraBase Compound ID IYJXHKsapQ0
InChI InChI=1S/C31H38O4Si/c1-18(2)23-16-26(20(5)14-28(23)32)31(25-13-11-10-12-22(25)30(33)34-31)27-17-24(19(3)4)29(15-21(27)6)35-36(7,8)9/h10-19,32H,1-9H3
InChIKey AEMAUYJMBREPSA-UHFFFAOYSA-N
Mol Weight 502.7 g/mol
Molecular Formula C31H38O4Si
Exact Mass 502.253936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkMi5jvRWoC
Name Thymolphthaleine TMS
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 502.253936235 u
Formula C31H38O4Si
InChI InChI=1S/C31H38O4Si/c1-18(2)23-16-26(20(5)14-28(23)32)31(25-13-11-10-12-22(25)30(33)34-31)27-17-24(19(3)4)29(15-21(27)6)35-36(7,8)9/h10-19,32H,1-9H3
InChIKey AEMAUYJMBREPSA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 502.726 g/mol
Nominal Mass 502 u
Quality 889
Retention Index 3712
SMILES OC1=C(C=C(C2(C=3C(C(O2)=O)=CC=CC3)C=2C(=CC(=C(C2)C(C)C)O[Si](C)(C)C)C)C(=C1)C)C(C)C
SPLASH splash10-014i-2263910000-51308db88cedef95c946
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-(4-hydroxy-2-methyl-5-(propan-2-yl)phenyl)-3-(2-methyl-5-(propan-2-yl)-4-((trimethylsilyl)oxy)\rphenyl)-2-benzofuran-1(3H)-one
Technique GC/MS
Wiley ID DD2024_026187