| SpectraBase Compound ID | IbX64Sc05j0 |
|---|---|
| InChI | InChI=1S/C21H33NO/c1-2-3-4-5-9-12-19-17-20(19)13-14-21(23)22-16-15-18-10-7-6-8-11-18/h6-8,10-11,19-20H,2-5,9,12-17H2,1H3,(H,22,23)/t19-,20-/m0/s1 |
| InChIKey | DBLLDTYDBSMYBP-PMACEKPBSA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C21H33NO |
| Exact Mass | 315.256215 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 54JWZbUqRP8 |
|---|---|
| Name | Grenadamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.256214686 u |
| Formula | C21H33NO |
| InChI | InChI=1S/C21H33NO/c1-2-3-4-5-9-12-19-17-20(19)13-14-21(23)22-16-15-18-10-7-6-8-11-18/h6-8,10-11,19-20H,2-5,9,12-17H2,1H3,(H,22,23)/t19-,20-/m0/s1 |
| InChIKey | DBLLDTYDBSMYBP-PMACEKPBSA-N |
| Molecular Weight | 315.501 g/mol |
| SMILES | C(NC(=O)CC[C@]1(C[C@@]1(CCCCCCC)[H])[H])CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844755 |