Dataset
patchouli alcohol.noesy
Chemical Info
InChI | InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11-,12-,14+,15-/m0/s1 |
---|---|
SMILES | C[C@H]1CC[C@]2(O)C(C)(C)[C@H]3CC[C@]2(C)[C@H]1C3 |
InChI Key | GGHMUJBZYLPWFD-JVSQWTDWSA-N |
Molecular Formula | C15H26O |
Exact Mass | 222.370 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p42.s247.d1434 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D1434 |
Version | |
Author | Peter Spiteller |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:21:59.770665 |
MetadataModified | 2024-09-23T09:33:21.024946 |
MetadataPublished | 2023-12-24 21:57:47 |
Field | Value |
---|---|
Measurement Technique | n |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
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162957608 | PubChem |
The data in this table is sourced from UniChem at EBI. |