Thymolphthalein

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Systematic / IUPAC Name: 3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)-2-benzofuran-1(3H)-one

ID: Reference1270

Other Names: 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-;
Thymophthalein

Formula: C28H30O4

Spectral Data

Thymolphthalein mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 1707
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; APCI; NSI
Analyzers FT
Last Modification 12/4/2014 12:42:03 PM
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Identificators

InChI InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3
InChI Key LDKDGDIWEUUXSH-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O
CAS 125202
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Other Names 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-;
Thymophthalein

In Other Databases

Wikipedia Thymolphthalein
ChEMBL CHEMBL587849
PubChem 31316
ChemSpider 29054
ChemIDPlus 000125202; 062637892