| SpectraBase Compound ID | 9hitffE4wYc |
|---|---|
| InChI | InChI=1S/C18H27N3O3/c1-12(2)16(19-13(3)22)17(23)20-15(18(24)21(4)5)11-14-9-7-6-8-10-14/h6-10,12,15-16H,11H2,1-5H3,(H,19,22)(H,20,23)/t15-,16?/m0/s1 |
| InChIKey | ASXGGDTXHDBBNI-VYRBHSGPSA-N |
| Mol Weight | 333.43 g/mol |
| Molecular Formula | C18H27N3O3 |
| Exact Mass | 333.205242 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | M2Kq2yftKC |
|---|---|
| Name | N(2)-[(R)-N(2)-acetyl-valyl]-L-phenylalanine-dimethylamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.205241738 u |
| Formula | C18H27N3O3 |
| InChI | InChI=1S/C18H27N3O3/c1-12(2)16(19-13(3)22)17(23)20-15(18(24)21(4)5)11-14-9-7-6-8-10-14/h6-10,12,15-16H,11H2,1-5H3,(H,19,22)(H,20,23)/t15-,16?/m0/s1 |
| InChIKey | ASXGGDTXHDBBNI-VYRBHSGPSA-N |
| Molecular Weight | 333.432 g/mol |
| SMILES | C(N[C@](C(N(C)C)=O)(CC=1C=CC=CC1)[H])(C(NC(=O)C)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823961 |