SpectraBase Spectrum ID |
8F1Az1zpItE |
Name |
Aminosalicylic acid 3TMS |
CAS Registry Number |
56272-79-8 |
Classification |
Pharmaceutical drug derivative |
Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
369.161173464 u |
Formula |
C16H31NO3Si3 |
InChI |
InChI=1S/C16H31NO3Si3/c1-21(2,3)17(22(4,5)6)13-10-11-14(15(18)12-13)16(19)20-23(7,8)9/h10-12,18H,1-9H3 |
InChIKey |
HSEBXSHJACHDOK-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
369.683 g/mol |
Nominal Mass |
369 u |
Quality |
982 |
Retention Index |
2121 |
SMILES |
OC1=C(C(O[Si](C)(C)C)=O)C=CC(N([Si](C)(C)C)[Si](C)(C)C)=C1 |
SPLASH |
splash10-0udi-2129000000-c3968005745f5c46be88 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
trimethylsilyl 4-(bis(trimethylsilyl)amino)-2-hydroxybenzoate |
Technique |
GC/MS |
Wiley ID |
DD2024_000138 |