| SpectraBase Compound ID | J3KsNhy98w1 |
|---|---|
| InChI | InChI=1S/C16H17N3/c1-19-9-10(7-17)5-13-12-3-2-4-14-16(12)11(8-18-14)6-15(13)19/h2-4,8,10,13,15,18H,5-6,9H2,1H3 |
| InChIKey | HTSJWBYDXUVRGP-UHFFFAOYSA-N |
| Mol Weight | 251.33 g/mol |
| Molecular Formula | C16H17N3 |
| Exact Mass | 251.142248 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Iy2950yVdpZ |
|---|---|
| Name | Dihydroergotamine - GC Artefact 05 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H17N3 |
| InChI | InChI=1S/C16H17N3/c1-19-9-10(7-17)5-13-12-3-2-4-14-16(12)11(8-18-14)6-15(13)19/h2-4,8,10,13,15,18H,5-6,9H2,1H3 |
| InChIKey | HTSJWBYDXUVRGP-UHFFFAOYSA-N |
| Molecular Weight | 251.333 g/mol |
| SMILES | [nH]1c2cccc3c2c(c1)CC1C3CC(CN1C)C#N |
| SPLASH | splash10-0udi-0960000000-aaefe2a2952de660d135 |
| Source of Spectrum | CJ-0-2-3581 |
| Wiley ID | 1254734 |