| SpectraBase Compound ID | HJXFqVkKINm |
|---|---|
| InChI | InChI=1S/C22H31N3O2/c1-15(2)21(22(23)27)24-20(26)12-17-14-25(13-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h6-7,10-11,14-16,21H,3-5,8-9,12-13H2,1-2H3,(H2,23,27)(H,24,26)/t21-/m0/s1 |
| InChIKey | KMEBOUOZCGQKFG-NRFANRHFSA-N |
| Mol Weight | 369.51 g/mol |
| Molecular Formula | C22H31N3O2 |
| Exact Mass | 369.241627 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Y7wesogMc1 |
|---|---|
| Name | AB-CHMIATA |
| Catalog Number | 38136 |
| Lot Number | 673287 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.241627248 u |
| Formula | C22H31N3O2 |
| InChI | InChI=1S/C22H31N3O2/c1-15(2)21(22(23)27)24-20(26)12-17-14-25(13-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h6-7,10-11,14-16,21H,3-5,8-9,12-13H2,1-2H3,(H2,23,27)(H,24,26)/t21-/m0/s1 |
| InChIKey | KMEBOUOZCGQKFG-NRFANRHFSA-N |
| Molecular Weight | 369.509 g/mol |
| Purity | >=98% |
| Quality | 1000 |
| SMILES | N(C(CC1=CN(C2=C1C=CC=C2)CC1CCCCC1)=O)[C@](C(N)=O)(C(C)C)[H] |
| SPLASH | splash10-004i-3490000000-8c24d470624f3788adf9 |
| Source of Spectrum | CAY-2024-2205-0 |
| Synonyms | (S)-2-(2-(1-(cyclohexylmethyl)-1H-indol-3-yl)acetamido)-3-methylbutanamide (2S)-2-{2-[1-(cyclohexylmethyl)-1H-indol-3-yl]acetamido}-3-methylbutanamide |
| Wiley ID | 1890398 |