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2,7-Di-neohexyl-9,9-dimethylxanthene
SpectraBase Compound ID IZhX2ImOaK4
InChI InChI=1S/C27H38O/c1-25(2,3)15-13-19-9-11-23-21(17-19)27(7,8)22-18-20(10-12-24(22)28-23)14-16-26(4,5)6/h9-12,17-18H,13-16H2,1-8H3
InChIKey KNTAVNKJDCNKQK-UHFFFAOYSA-N
Mol Weight 378.6 g/mol
Molecular Formula C27H38O
Exact Mass 378.292266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eCMPGDz6Dg
Name 2,7-Di-neohexyl-9,9-dimethylxanthene
Alternate Name(s) 2,7-Bis(3,3-dimethylbutyl)-9,9-dimethyl-9H-xanthene 2,7-Bis(3,3-dimethylbutyl)-9,9-dimethylxanthene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O
InChI InChI=1S/C27H38O/c1-25(2,3)15-13-19-9-11-23-21(17-19)27(7,8)22-18-20(10-12-24(22)28-23)14-16-26(4,5)6/h9-12,17-18H,13-16H2,1-8H3
InChIKey KNTAVNKJDCNKQK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200404066
Molecular Weight 378.600 g/mol
SMILES C1(c2cc(ccc2Oc2ccc(cc12)CCC(C)(C)C)CCC(C)(C)C)(C)C
SPLASH splash10-03di-0049000000-af78fe1a52df513b0e8c
Source of Spectrum ASC-346-789/SM7-30
Wiley ID 1767626