Dataset
DIMETHYL (3R*,5S*,6R*)-3-PHENYL-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE
Chemical Info
InChI | InChI=1S/C19H20O5/c1-23-18(21)15-8-13-12(11-6-4-3-5-7-11)10-17(20)14(13)9-16(15)19(22)24-2/h3-7,12,15-16H,8-10H2,1-2H3/t12-,15+,16-/m1/s1 |
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SMILES | COC(=O)C(C1)C(C(=O)OC)CC(C2c(c3)cccc3)=C1C(=O)C2 |
InChI Key | ILKGAHQRSGVBBZ-UHOFOFEASA-N |
Molecular Formula | C19H20O5 |
Exact Mass | 328.131 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-JP010255 |
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Author | |
Maintainer | |
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MetadataCreated | 2024-01-11T15:56:13.138786 |
MetadataModified | 2024-01-11T15:56:13.304532 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |