| SpectraBase Spectrum ID |
D1hamenxLsw |
| Name |
(3as,4R)-Triethyl 3A,4,5,6-tetrahydro-1H-benzo[3,4]cyclohepta- [1,2-C]furan-4,9,9(3H,8H,10H)-tricarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.199153299 u |
| Formula |
C22H30O7 |
| InChI |
InChI=1S/C22H30O7/c1-4-27-19(23)15-8-7-14-9-10-22(20(24)28-5-2,21(25)29-6-3)11-16(14)18-13-26-12-17(15)18/h9,15,17H,4-8,10-13H2,1-3H3/t15-,17+/m1/s1 |
| InChIKey |
IWYRQSBVSQKEFN-WBVHZDCISA-N |
| Molecular Weight |
406.475 g/mol |
| SMILES |
C1(C(OCC)=O)(C(OCC)=O)CC=2C(CC[C@](C(=O)OCC)([H])[C@@]3(COCC23)[H])=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814031 |
![(3aS,4R)-Triethyl 3a,4,5,6-tetrahydro-1H-benzo[3,4]cyclohepta- [1,2-c]furan-4,9,9(3H,8H,10H)-tricarboxylate](/api/spectrum/D1hamenxLsw/structure.png?h=300&w=458 "(3aS,4R)-Triethyl 3a,4,5,6-tetrahydro-1H-benzo[3,4]cyclohepta- [1,2-c]furan-4,9,9(3H,8H,10H)-tricarboxylate")
