![3-[N-(Benzyloxycarbonyl)-(S)-alanylamino]-3-methylhexan-2-ol](/api/spectrum/A2iZLoleL7h/structure.png?h=300&w=458 "3-[N-(Benzyloxycarbonyl)-(S)-alanylamino]-3-methylhexan-2-ol")
| SpectraBase Compound ID | Vi0W1s0SVh |
|---|---|
| InChI | InChI=1S/C18H28N2O4/c1-5-11-18(4,14(3)21)20-16(22)13(2)19-17(23)24-12-15-9-7-6-8-10-15/h6-10,13-14,21H,5,11-12H2,1-4H3,(H,19,23)(H,20,22)/t13-,14?,18?/m0/s1 |
| InChIKey | KVGIOPUMXMHIOE-VNSJNIRKSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C18H28N2O4 |
| Exact Mass | 336.204907 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A2iZLoleL7h |
|---|---|
| Name | 3-[N-(Benzyloxycarbonyl)-(S)-alanylamino]-3-methylhexan-2-ol |
| Alternate Name(s) | benzyl (1S)-2-{[1-(1-hydroxyethyl)-1-methylbutyl]amino}-1-methyl-2-oxoethylcarbamate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H28N2O4 |
| InChI | InChI=1S/C18H28N2O4/c1-5-11-18(4,14(3)21)20-16(22)13(2)19-17(23)24-12-15-9-7-6-8-10-15/h6-10,13-14,21H,5,11-12H2,1-4H3,(H,19,23)(H,20,22)/t13-,14?,18?/m0/s1 |
| InChIKey | KVGIOPUMXMHIOE-VNSJNIRKSA-N |
| Molecular Weight | 336.432 g/mol |
| SMILES | N(C([C@@](NC(=O)OCc1ccccc1)(C)[H])=O)C(C(O)C)(CCC)C |
| SPLASH | splash10-0006-9000000000-31e30a6d1413c1b6f280 |
| Source of Spectrum | U-1996-345-21 |
| Wiley ID | 768175 |