| SpectraBase Spectrum ID |
773Db3X0TBD |
| Name |
Vanillylhydroacrylic acid, tri-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 |
428.187053859 u |
| Formula |
C19H36O5Si3 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C19H36O5Si3/c1-21-18-13-15(11-12-16(18)22-25(2,3)4)17(23-26(5,6)7)14-19(20)24-27(8,9)10/h11-13,17H,14H2,1-10H3 |
| InChIKey |
QCMUGKOFXVYNCF-UHFFFAOYSA-N |
| Molecular Weight |
428.747 g/mol |
| Nominal Mass |
428 u |
| Number of Peaks |
68 |
| SMILES |
c1(cc(c(cc1)O[Si](C)(C)C)OC)C(CC(O[Si](C)(C)C)=O)O[Si](C)(C)C |
| SPLASH |
splash10-0002-2290000000-ccae176b642068f42b3b |
| Source |
human urine; municipal wastewaters |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001107 |
