| SpectraBase Compound ID | Fdh4mqEuBzc |
|---|---|
| InChI | InChI=1S/C31H49NO/c1-6-7-8-9-10-11-12-13-14-22-32-29(33)31(5)21-15-20-30(4)27-18-16-25(24(2)3)23-26(27)17-19-28(30)31/h6,16,18,23-24,28H,1,7-15,17,19-22H2,2-5H3,(H,32,33)/t28-,30-,31-/m1/s1 |
| InChIKey | FDJUEMJDHZMVEA-JJEZKPMQSA-N |
| Mol Weight | 451.7 g/mol |
| Molecular Formula | C31H49NO |
| Exact Mass | 451.381415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J4Lk2UmYg9y |
|---|---|
| Name | N-(10'-Undecenyl)dehydroabietamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 451.381415201 u |
| Formula | C31H49NO |
| InChI | InChI=1S/C31H49NO/c1-6-7-8-9-10-11-12-13-14-22-32-29(33)31(5)21-15-20-30(4)27-18-16-25(24(2)3)23-26(27)17-19-28(30)31/h6,16,18,23-24,28H,1,7-15,17,19-22H2,2-5H3,(H,32,33)/t28-,30-,31-/m1/s1 |
| InChIKey | FDJUEMJDHZMVEA-JJEZKPMQSA-N |
| Molecular Weight | 451.739 g/mol |
| SMILES | [C@@]12([C@]([C@@](C(=O)NCCCCCCCCCC=C)(C)CCC2)(CCC2=C1C=CC(C(C)C)=C2)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95525 |