| SpectraBase Spectrum ID |
63N0wWBLNCd |
| Name |
bis[ S-1-(methoxycarbonyl)ethyl] (-) 3-hexanooxepine-4,5-dicarboxylate |
| Alternate Name(s) |
bis[(1S)-2-methoxy-1-methyl-2-oxoethyl]10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28O9 |
| InChI |
InChI=1S/C22H28O9/c1-13(19(23)27-3)30-21(25)17-15-9-7-5-6-8-10-16(12-29-11-15)18(17)22(26)31-14(2)20(24)28-4/h11-14H,5-10H2,1-4H3/t13-,14-/m0/s1 |
| InChIKey |
MBZKAGQHSGHKBG-KBPBESRZSA-N |
| Molecular Weight |
436.457 g/mol |
| SMILES |
C1(=C(C(O[C@](C(=O)OC)(C)[H])=O)C2=COC=C1CCCCCC2)C(O[C@](C(=O)OC)(C)[H])=O |
| SPLASH |
splash10-0a4i-9000100000-1f8f17f8a039baf459a0 |
| Source of Spectrum |
K-126-1737-2 |
| Wiley ID |
1383447 |
![bis[ S-1-(methoxycarbonyl)ethyl] (-) 3-hexanooxepine-4,5-dicarboxylate](/api/spectrum/63N0wWBLNCd/structure.png?h=300&w=458 "bis[ S-1-(methoxycarbonyl)ethyl] (-) 3-hexanooxepine-4,5-dicarboxylate")
