| SpectraBase Compound ID | D6p4GP2F35U |
|---|---|
| InChI | InChI=1S/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3 |
| InChIKey | ACFJNTXCEQCDBX-UHFFFAOYSA-N |
| Mol Weight | 207.23 g/mol |
| Molecular Formula | C11H13NO3 |
| Exact Mass | 207.089543 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6cDVCNcBPRA |
|---|---|
| Name | Benzeneacetonitrile, 3,4,5-trimethoxy- |
| CAS Registry Number | 13338-63-1 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H13NO3 |
| InChI | InChI=1S/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3 |
| InChIKey | ACFJNTXCEQCDBX-UHFFFAOYSA-N |
| Molecular Weight | 207.229 g/mol |
| SMILES | COc1c(OC)cc(CC#N)cc1OC |
| SPLASH | splash10-052f-3930000000-3432f62324cddfa0ad76 |
| Source of Spectrum | W5-16468-0-0 |
| Synonyms | (3,4,5-Trimethoxyphenyl)acetonitrile 2-(3,4,5-Trimethoxyphenyl)acetonitrile 2-(3,4,5-Trimethoxyphenyl)ethanenitrile 3,4,5-Trimethoxybenzeneacetonitrile 3,4,5-Trimethoxybenzyl cyanide 3,4,5-Trimethoxybenzylnitrile 3,4,5-Trimethoxyphenylacetylnitryl Acetonitrile, (3,4,5-trimethoxyphenyl)- BRN 2214548 EINECS 236-388-5 NSC 97556 |
| Wiley ID | 1205663 |