![6H,16H-Dibenzo[H,Q][1,7,4,10,16]dioxatriazacyclooctadecine, 7,8,9,10,17,18,19,20,21,22-decahydro-](/api/spectrum/EvEPRYPGhjq/structure.png?h=300&w=458 "6H,16H-Dibenzo[H,Q][1,7,4,10,16]dioxatriazacyclooctadecine, 7,8,9,10,17,18,19,20,21,22-decahydro-")
| SpectraBase Compound ID | 6VzGmZEI0N0 |
|---|---|
| InChI | InChI=1S/C21H29N3O2/c1-6-12-23-18-8-2-4-10-20(18)25-16-14-22-15-17-26-21-11-5-3-9-19(21)24-13-7-1/h2-5,8-11,22-24H,1,6-7,12-17H2 |
| InChIKey | HSAPYHZDEQQWDK-UHFFFAOYSA-N |
| Mol Weight | 355.48 g/mol |
| Molecular Formula | C21H29N3O2 |
| Exact Mass | 355.225977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EvEPRYPGhjq |
|---|---|
| Name | 6H,16H-Dibenzo[H,Q][1,7,4,10,16]dioxatriazacyclooctadecine, 7,8,9,10,17,18,19,20,21,22-decahydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.225977184 u |
| Formula | C21H29N3O2 |
| InChI | InChI=1S/C21H29N3O2/c1-6-12-23-18-8-2-4-10-20(18)25-16-14-22-15-17-26-21-11-5-3-9-19(21)24-13-7-1/h2-5,8-11,22-24H,1,6-7,12-17H2 |
| InChIKey | HSAPYHZDEQQWDK-UHFFFAOYSA-N |
| Molecular Weight | 355.482 g/mol |
| SMILES | C1COC2=C(NCCCCCNC3=CC=CC=C3OCCN1)C=CC=C2 |