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3-Adamantyloxocoumarine
SpectraBase Compound ID G67U8kT43cJ
InChI InChI=1S/C20H20O3/c21-18(16-8-15-3-1-2-4-17(15)23-19(16)22)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14H,5-7,9-11H2/t12-,13+,14-,20-
InChIKey UPNUPZWUUYFYCS-OYEQCZOJSA-N
Mol Weight 308.38 g/mol
Molecular Formula C20H20O3
Exact Mass 308.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1g7GIrJsDA
Name 3-Adamantyloxocoumarine
Alternate Name(s) 3-((3r,5r,7r)-adamantane-1-carbonyl)-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O3
InChI InChI=1S/C20H20O3/c21-18(16-8-15-3-1-2-4-17(15)23-19(16)22)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14H,5-7,9-11H2/t12-,13+,14-,20-
InChIKey UPNUPZWUUYFYCS-OYEQCZOJSA-N
Literature Reference DOI 10.1002/ardp.19833161111
Molecular Weight 308.377 g/mol
SMILES C1C2(C[C@]3(C[C@@]1(C[C@](C3)(C2)[H])[H])[H])C(C=1C(Oc2ccccc2C1)=O)=O
SPLASH splash10-0a4r-0908000000-1aad427d35eb9bdd05f5
Source of Spectrum APC-316-962-3a
Wiley ID 1788054