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(3aS,9bR)-2-(hydroxymethyl)-9b-phenyl-2,3,4,5-tetrahydrobenzo[g]benzofuran-3a-carboxylic acid methyl ester
SpectraBase Compound ID CQnuS4uRlXR
InChI InChI=1S/C21H22O4/c1-24-19(23)20-12-11-15-7-5-6-10-18(15)21(20,25-17(13-20)14-22)16-8-3-2-4-9-16/h2-10,17,22H,11-14H2,1H3/t17?,20-,21-/m1/s1
InChIKey UNGUZUIYUVOAQX-LTGQRPFBSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pYAvTvmXpA
Name (3aS,9bR)-2-(hydroxymethyl)-9b-phenyl-2,3,4,5-tetrahydrobenzo[g]benzofuran-3a-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-24-19(23)20-12-11-15-7-5-6-10-18(15)21(20,25-17(13-20)14-22)16-8-3-2-4-9-16/h2-10,17,22H,11-14H2,1H3/t17?,20-,21-/m1/s1
InChIKey UNGUZUIYUVOAQX-LTGQRPFBSA-N
Molecular Weight 338.403 g/mol
SMILES OCC1C[C@@]2([C@](O1)(c1ccccc1CC2)c1ccccc1)C(=O)OC
SPLASH splash10-056r-2298000000-874dd59a84dbdffee344
Source of Spectrum K1-2004-2711-21
Synonyms (3aS,9bR)-2-methylol-9b-phenyl-2,3,4,5-tetrahydrobenzo[g]benzofuran-3a-carboxylic acid methyl ester Methyl (3aS,9bR)-2-(hydroxymethyl)-9b-phenyl-2,3,4,5-tetrahydrobenzo[g]benzofuran-3a-carboxylate Methyl (3aS,9bR)-2-(hydroxymethyl)-9b-phenyl-2,3,4,5-tetrahydrobenzo[g][1]benzofuran-3a-carboxylate
Wiley ID 1561135