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Umbelliferin <4-methyl -.beta.-glucuronide->, tetra-TMS
SpectraBase Compound ID CVEcYFWxLPS
InChI InChI=1S/C28H48O9Si4/c1-18-16-22(29)32-21-17-19(14-15-20(18)21)31-28-26(36-40(8,9)10)24(35-39(5,6)7)23(34-38(2,3)4)25(33-28)27(30)37-41(11,12)13/h14-17,23-26,28H,1-13H3
InChIKey JPIZNRGULGXVPH-UHFFFAOYSA-N
Mol Weight 641.0 g/mol
Molecular Formula C28H48O9Si4
Exact Mass 640.237539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2xCSh8BHKS
Name Umbelliferin <4-methyl -.beta.-glucuronide->, tetra-TMS
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 640.237539257 u
Formula C28H48O9Si4
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C28H48O9Si4/c1-18-16-22(29)32-21-17-19(14-15-20(18)21)31-28-26(36-40(8,9)10)24(35-39(5,6)7)23(34-38(2,3)4)25(33-28)27(30)37-41(11,12)13/h14-17,23-26,28H,1-13H3
InChIKey JPIZNRGULGXVPH-UHFFFAOYSA-N
Molecular Weight 641.023 g/mol
Nominal Mass 640 u
Number of Peaks 283
SMILES C1(=CC(Oc2c1ccc(c2)OC1C(C(O[Si](C)(C)C)C(C(O1)C(O[Si](C)(C)C)=O)O[Si](C)(C)C)O[Si](C)(C)C)=O)C
SPLASH splash10-00b9-4469000000-21ff9a46b31970cfad22
Source Sigma
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Synonyms 4-Methylumbelliferyl-.beta.-D-glucuronide, tetra-TMS
Wiley ID VI001291