12a_JCAMP.
Dataset description:
This dataset contains NMR spectra obtained for the sample -12a_JCAMP date: 2014/02/10 09:33:53.000 isFt: true name: 12a_HEE295 type: NMR SPECTRUM isFid: false lastX: -789.614764666 title:...
Source: 12a_JCAMP.
Chemical Info
| InChI | InChI=1S/C17H30O3/c1-5-6-7-8-9-10-11-15-14(18)12-13-16(19-15)20-17(2,3)4/h12-13,15-16H,5-11H2,1-4H3 |
|---|---|
| SMILES | [CH:1]1=[CH:2][CH:3]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[O:4][CH:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[C:6]1=[O:7] |
| InChI Key | BMHCBBLRQFEKMM-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 | aae22c82-73f1-4ab6-9fb8-8195dcd442da |
| Package id | nmrxiv-d1885 |
| Resource type | HTML |
| State | active |