Dataset
3-PHENYLDODECANE
Chemical Info
InChI | InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3 |
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SMILES | CCCCCCCCCC(CC)c(c1)cccc1 |
InChI Key | PGVOXXHNGYYHHB-UHFFFAOYSA-N |
Molecular Formula | C18H30 |
Exact Mass | 246.235 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP012314 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T15:56:09.121206 |
MetadataModified | 2024-01-11T15:56:09.284756 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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J144.899D | Nikkaji |
SCHEMBL3097530 | SureChEMBL |
DTXSID40862922 | EPA CompTox Dashboard |
60024299 | NMRShiftDB |
2400-00-2 | ACToR |
16301798 | PubChem: Thomson Pharma |
16979 | PubChem |
The data in this table is sourced from UniChem at EBI. |