| SpectraBase Spectrum ID |
BFnp2NNgHnG |
| Name |
3-{3-[Benzyl(2-ethoxycarbonylacetyl)amino]-3-methylpent-1-ynyl}benzoic acid methyl ester |
| Alternate Name(s) |
methyl 3-{3-[benzyl(3-ethoxy-3-oxopropanoyl)amino]-3-methyl-1-pentynyl}benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H29NO5 |
| InChI |
InChI=1S/C26H29NO5/c1-5-26(3,16-15-20-13-10-14-22(17-20)25(30)31-4)27(19-21-11-8-7-9-12-21)23(28)18-24(29)32-6-2/h7-14,17H,5-6,18-19H2,1-4H3 |
| InChIKey |
VAVFNFHTZMJSAH-UHFFFAOYSA-N |
| Molecular Weight |
435.520 g/mol |
| SMILES |
C(N(C(C#Cc1cc(C(=O)OC)ccc1)(CC)C)Cc1ccccc1)(CC(=O)OCC)=O |
| SPLASH |
splash10-0006-9000300000-13c1b139ad0cfa55e5cb |
| Source of Spectrum |
F4-0-2026-4 |
| Wiley ID |
1619939 |
![3-{3-[Benzyl(2-ethoxycarbonylacetyl)amino]-3-methylpent-1-ynyl}benzoic acid methyl ester](/api/spectrum/BFnp2NNgHnG/structure.png?h=300&w=458 "3-{3-[Benzyl(2-ethoxycarbonylacetyl)amino]-3-methylpent-1-ynyl}benzoic acid methyl ester")
