For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Methylumbelliferone, 1TMS
SpectraBase Compound ID 6Orcv2z4LV1
InChI InChI=1S/C13H16O3Si/c1-9-7-13(14)15-12-8-10(5-6-11(9)12)16-17(2,3)4/h5-8H,1-4H3
InChIKey QHQOZLBDGGWMFA-UHFFFAOYSA-N
Mol Weight 248.35 g/mol
Molecular Formula C13H16O3Si
Exact Mass 248.086871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID H9SEgOQAM8P
Name 4-Methylumbelliferone, 1TMS
Comments Derivatization type: 1 TMS (mass: 248.087); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000287; Note: The molecular formula of the structure shown is C10H8O3 - which differs from the formula reported for the mass spectrum (C13H16O3Si)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3Si
InChI InChI=1S/C13H16O3Si/c1-9-7-13(14)15-12-8-10(5-6-11(9)12)16-17(2,3)4/h5-8H,1-4H3
InChIKey QHQOZLBDGGWMFA-UHFFFAOYSA-N
Molecular Weight 248.353 g/mol
SMILES CC1=CC(=O)Oc2cc(ccc12)O[Si](C)(C)C
SPLASH splash10-0ugj-2960000000-b39da8b79d59cda3a61f
Source of Spectrum FM-2019-287-0
Synonyms Hymecromone, 1TMS Cantabiline, 1TMS Cantabilin, 1TMS Cholonerton, 1TMS 7-Hydroxy-4-methylchromen-2-one, 1TMS 4-Methyl-7-((trimethylsilyl)oxy)-2H-chromen-2-one
Wiley ID 1817975