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(S)-(3R,5R,7R)-adamantan-1-yl 2-hydroxy-1-oxo-2,3-dihydro-1H-indene-2-carboxylate
SpectraBase Compound ID GocIUhX3e3g
InChI InChI=1S/C20H22O4/c21-17-16-4-2-1-3-15(16)11-20(17,23)18(22)24-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,23H,5-11H2/t12-,13+,14-,19-,20-/m0/s1
InChIKey NTJZJNWRULUISG-ZVVJOPMHSA-N
Mol Weight 326.39 g/mol
Molecular Formula C20H22O4
Exact Mass 326.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cpvwj1QQWN
Name (S)-(3R,5R,7R)-adamantan-1-yl 2-hydroxy-1-oxo-2,3-dihydro-1H-indene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O4
InChI InChI=1S/C20H22O4/c21-17-16-4-2-1-3-15(16)11-20(17,23)18(22)24-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,23H,5-11H2/t12-,13+,14-,19-,20-/m0/s1
InChIKey NTJZJNWRULUISG-ZVVJOPMHSA-N
Literature Reference DOI 10.1039/c4cc01631a
Molecular Weight 326.392 g/mol
SMILES O[C@]1(Cc2ccccc2C1=O)C(OC12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H])=O
SPLASH splash10-000i-3900000000-85ff00d4d9e90902e69a
Source of Spectrum KD-50-7870/SMS48-8c
Wiley ID 1754656