| SpectraBase Spectrum ID |
2eJUaohl7Eu |
| Name |
Scopoletin, mono-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 |
264.081785526 u |
| Formula |
C13H16O4Si |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C13H16O4Si/c1-15-11-7-9-5-6-13(14)16-10(9)8-12(11)17-18(2,3)4/h5-8H,1-4H3 |
| InChIKey |
NMJKTIAWKZTMIN-UHFFFAOYSA-N |
| Molecular Weight |
264.352 g/mol |
| Nominal Mass |
264 u |
| Number of Peaks |
167 |
| SMILES |
COc1cc2c(cc1O[Si](C)(C)C)OC(C=C2)=O |
| SPLASH |
splash10-001i-3290000000-afecd38a05de2a381774 |
| Source |
Aldrich; oak (Q. robur) buds |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI000692 |
