| SpectraBase Compound ID | CVoYGUBQ1Ly |
|---|---|
| InChI | InChI=1S/C18H31NO4Si/c1-6-7-8-9-11-15-14(2)17(21)19(18(15)22)13-10-12-16(20)23-24(3,4)5/h6-13H2,1-5H3 |
| InChIKey | QQFIRHQZMTWUQX-UHFFFAOYSA-N |
| Mol Weight | 353.53 g/mol |
| Molecular Formula | C18H31NO4Si |
| Exact Mass | 353.202235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Yz5HqfsuwG |
|---|---|
| Name | 4-(3-Hexyl-4-methyl-2,5-dioxopyrrol-1-yl)butanoic acid, tms ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.202235013 u |
| Formula | C18H31NO4Si |
| InChI | InChI=1S/C18H31NO4Si/c1-6-7-8-9-11-15-14(2)17(21)19(18(15)22)13-10-12-16(20)23-24(3,4)5/h6-13H2,1-5H3 |
| InChIKey | QQFIRHQZMTWUQX-UHFFFAOYSA-N |
| Molecular Weight | 353.534 g/mol |
| SMILES | C1(=C(C(N(C1=O)CCCC(O[Si](C)(C)C)=O)=O)CCCCCC)C |