| SpectraBase Spectrum ID |
KZj2Saq8F3U |
| Name |
Vanillylmandelic acid, tri-TMS |
| CAS Registry Number |
55268-66-1 |
| 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 |
414.171403795 u |
| Formula |
C18H34O5Si3 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C18H34O5Si3/c1-20-16-13-14(11-12-15(16)21-24(2,3)4)17(22-25(5,6)7)18(19)23-26(8,9)10/h11-13,17H,1-10H3 |
| InChIKey |
QGOJNGYLGCWPKN-UHFFFAOYSA-N |
| Molecular Weight |
414.720 g/mol |
| Nominal Mass |
414 u |
| Number of Peaks |
194 |
| SMILES |
C(C(O[Si](C)(C)C)c1cc(OC)c(cc1)O[Si](C)(C)C)(O[Si](C)(C)C)=O |
| SPLASH |
splash10-0002-2190000000-9d598545a22c8b415ea1 |
| Source |
Koch-Light Lab; human urine |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI000609 |
![Benzeneacetic acid, 3-methoxy-.alpha.,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester](/api/spectrum/KZj2Saq8F3U/structure.png?h=300&w=458 "Benzeneacetic acid, 3-methoxy-.alpha.,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester")
