| SpectraBase Compound ID | HIe5TFnP8nJ |
|---|---|
| InChI | InChI=1S/C23H25NO5/c1-2-27-22(25)17-10-6-11-19-18(17)14-20(21-12-7-13-28-21)24(19)23(26)29-15-16-8-4-3-5-9-16/h3-9,11-13,17-20H,2,10,14-15H2,1H3/t17-,18+,19-,20-/m0/s1 |
| InChIKey | SNTBCTIYNPOXFS-YRPNKDGESA-N |
| Mol Weight | 395.46 g/mol |
| Molecular Formula | C23H25NO5 |
| Exact Mass | 395.173273 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B1WDPjb5wWG |
|---|---|
| Name | 1-Benzyl 4-ethyl (2S,3aR,4S,7aS)-2-(Furan-2-yl)-3,3a,4,5-tetrahydro-1H-indole-1,4(2H,7aH)-dicarboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H25NO5 |
| InChI | InChI=1S/C23H25NO5/c1-2-27-22(25)17-10-6-11-19-18(17)14-20(21-12-7-13-28-21)24(19)23(26)29-15-16-8-4-3-5-9-16/h3-9,11-13,17-20H,2,10,14-15H2,1H3/t17-,18+,19-,20-/m0/s1 |
| InChIKey | SNTBCTIYNPOXFS-YRPNKDGESA-N |
| Molecular Weight | 395.455 g/mol |
| SMILES | [C@@]12(N([C@@](C[C@@]2([C@@](C(=O)OCC)(CC=C1)[H])[H])(c1occc1)[H])C(OCc1ccccc1)=O)[H] |
| SPLASH | splash10-0f6x-9036000000-cb1e829f3ab1cdda9018 |
| Source of Spectrum | U1-2011-6562-18 |
| Synonyms | (2S,3aR,4S,7aS)-2-(2-furanyl)-2,3,3a,4,5,7a-hexahydroindole-1,4-dicarboxylic acid O4-ethyl ester O1-(phenylmethyl) ester 1-O-benzyl 4-O-ethyl (2S,3aR,4S,7aS)-2-(furan-2-yl)-2,3,3a,4,5,7a-hexahydroindole-1,4-dicarboxylate O1-benzyl O4-ethyl (2S,3aR,4S,7aS)-2-(2-furyl)-2,3,3a,4,5,7a-hexahydroindole-1,4-dicarboxylate O4-ethyl O1-(phenylmethyl) (2S,3aR,4S,7aS)-2-(furan-2-yl)-2,3,3a,4,5,7a-hexahydroindole-1,4-dicarboxylate |
| Wiley ID | 1703059 |