| SpectraBase Compound ID | Lrm86SMeqa9 |
|---|---|
| InChI | InChI=1S/C16H22N4O2/c17-15(18)19-11-7-2-1-3-8-12-20-16(21)22-13-14-9-5-4-6-10-14/h4-6,9-10H,2,7-8,11-13H2,(H,20,21)(H4,17,18,19) |
| InChIKey | NENYQNHQFGHVNN-UHFFFAOYSA-N |
| Mol Weight | 302.38 g/mol |
| Molecular Formula | C16H22N4O2 |
| Exact Mass | 302.174276 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAntQsSnwqE |
|---|---|
| Name | 1-Benzyloxycarbonylamino-7-guanidinohept-3-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.174275962 u |
| Formula | C16H22N4O2 |
| InChI | InChI=1S/C16H22N4O2/c17-15(18)19-11-7-2-1-3-8-12-20-16(21)22-13-14-9-5-4-6-10-14/h4-6,9-10H,2,7-8,11-13H2,(H,20,21)(H4,17,18,19) |
| InChIKey | NENYQNHQFGHVNN-UHFFFAOYSA-N |
| Molecular Weight | 302.378 g/mol |
| SMILES | C(=O)(OCC1=CC=CC=C1)NCCC#CCCCNC(=N)N |