| SpectraBase Spectrum ID |
GCdeZd3mIZn |
| Name |
Laevulic acid, mono-TMS |
| CAS Registry Number |
55557-12-5 |
| 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 |
188.086870907 u |
| Formula |
C8H16O3Si |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C8H16O3Si/c1-7(9)5-6-8(10)11-12(2,3)4/h5-6H2,1-4H3 |
| InChIKey |
SKSOOBJAPLSIMV-UHFFFAOYSA-N |
| Molecular Weight |
188.298 g/mol |
| Nominal Mass |
188 u |
| Number of Peaks |
115 |
| SMILES |
C[Si](C)(C)OC(=O)CCC(C)=O |
| SPLASH |
splash10-00ba-9400000000-24928810a7f0c5f74e3a |
| Source |
Aldrich; birch twigs extract |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
4-Oxopentanoic acid, mono-TMS |
| Wiley ID |
VI000701 |
