13c_JCAMP.
Dataset description:
This dataset contains NMR spectra obtained for the sample -13c_JCAMP date: 2014/02/13 13:12:22.000 isFt: true name: 13c_HEE301 type: NMR SPECTRUM isFid: false lastX: -792.299370655 title:...
Source: 13c_JCAMP.
Chemical Info
| InChI | InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-17-21(23)18(22)15-16-19(21)24-20(2,3)4/h15-16,19,23H,5-14,17H2,1-4H3 |
|---|---|
| SMILES | [CH:1]1([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[C:2]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:16][CH2:17][CH2:18][CH3:19])([OH:15])[C:3](=[O:6])[CH:4]=[CH:5]1 |
| InChI Key | XYTFEHOVKCFNQD-UHFFFAOYSA-N |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 3, 2025 |
| Metadata last updated | February 3, 2025 |
| Created | February 3, 2025 |
| Format | HTML |
| License | Attribution 4.0 International |
| Id | ae9005e8-62c5-44f5-a550-67eb6879c307 |
| Package id | nmrxiv-d1953 |
| Resource type | HTML |
| State | active |