| SpectraBase Compound ID | 9K3m43CeG7M |
|---|---|
| InChI | InChI=1S/C24H40O4/c1-15(2)19-9-7-17(5)13-21(19)27-23(25)11-12-24(26)28-22-14-18(6)8-10-20(22)16(3)4/h11-12,15-22H,7-10,13-14H2,1-6H3/b12-11+/t17-,18-,19+,20+,21-,22-/m1/s1 |
| InChIKey | HTJZKHLYRXPLLS-NGHDTEGZSA-N |
| Mol Weight | 392.6 g/mol |
| Molecular Formula | C24H40O4 |
| Exact Mass | 392.29266 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6ckVql0EhcJ |
|---|---|
| Name | (-)-dimenthyl fumarate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.292659764 u |
| Formula | C24H40O4 |
| InChI | InChI=1S/C24H40O4/c1-15(2)19-9-7-17(5)13-21(19)27-23(25)11-12-24(26)28-22-14-18(6)8-10-20(22)16(3)4/h11-12,15-22H,7-10,13-14H2,1-6H3/b12-11+/t17-,18-,19+,20+,21-,22-/m1/s1 |
| InChIKey | HTJZKHLYRXPLLS-NGHDTEGZSA-N |
| Molecular Weight | 392.580 g/mol |
| SMILES | [C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])(OC(\C=C\C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)=O)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.978023 |