![5-Methyl-2-methoxy-2,5-dihydro-1'-{[N-(butoxycarbonyl)-6''-methylpiperidin-2''-yl]ethenylidene}naphthaleno[2,3-c]furan - isomer](/api/spectrum/CZkoJGPXCGJ/structure.png?h=300&w=458 "5-Methyl-2-methoxy-2,5-dihydro-1'-{[N-(butoxycarbonyl)-6''-methylpiperidin-2''-yl]ethenylidene}naphthaleno[2,3-c]furan - isomer")
| SpectraBase Compound ID | 2C71fXoes2L |
|---|---|
| InChI | InChI=1S/C27H45NO4/c1-17-10-9-12-20(28(17)26(29)32-27(3,4)5)14-15-22-21-13-8-7-11-19(21)16-23-24(22)18(2)31-25(23)30-6/h14-15,17-25H,7-13,16H2,1-6H3/b15-14+/t17-,18-,19?,20+,21?,22?,23?,24?,25?/m0/s1 |
| InChIKey | XNMRRRDWRGWPNP-KEXQOEQNSA-N |
| Mol Weight | 447.7 g/mol |
| Molecular Formula | C27H45NO4 |
| Exact Mass | 447.334859 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CZkoJGPXCGJ |
|---|---|
| Name | 5-Methyl-2-methoxy-2,5-dihydro-1'-{[N-(butoxycarbonyl)-6''-methylpiperidin-2''-yl]ethenylidene}naphthaleno[2,3-c]furan - isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO4 |
| InChI | InChI=1S/C27H45NO4/c1-17-10-9-12-20(28(17)26(29)32-27(3,4)5)14-15-22-21-13-8-7-11-19(21)16-23-24(22)18(2)31-25(23)30-6/h14-15,17-25H,7-13,16H2,1-6H3/b15-14+/t17-,18-,19?,20+,21?,22?,23?,24?,25?/m0/s1 |
| InChIKey | XNMRRRDWRGWPNP-KEXQOEQNSA-N |
| Molecular Weight | 447.660 g/mol |
| SMILES | C(N1[C@@](\C=C\C2C3C(C(OC)O[C@]3(C)[H])CC3C2CCCC3)(CCC[C@@]1(C)[H])[H])(OC(C)(C)C)=O |
| SPLASH | splash10-0a4i-9300000000-b10926f1eb07d122b19e |
| Source of Spectrum | K1-2001-2859-20 |
| Wiley ID | 814134 |