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3-Adamantyloxo-5,7-dimethoxycoumarine
SpectraBase Compound ID pFne5XfGk0
InChI InChI=1S/C22H24O5/c1-25-15-6-18(26-2)16-8-17(21(24)27-19(16)7-15)20(23)22-9-12-3-13(10-22)5-14(4-12)11-22/h6-8,12-14H,3-5,9-11H2,1-2H3/t12-,13+,14-,22-
InChIKey VDXWSLDXYJGELA-MEFDUVCQSA-N
Mol Weight 368.43 g/mol
Molecular Formula C22H24O5
Exact Mass 368.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBGdAoZl9Yk
Name 3-Adamantyloxo-5,7-dimethoxycoumarine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O5
InChI InChI=1S/C22H24O5/c1-25-15-6-18(26-2)16-8-17(21(24)27-19(16)7-15)20(23)22-9-12-3-13(10-22)5-14(4-12)11-22/h6-8,12-14H,3-5,9-11H2,1-2H3/t12-,13+,14-,22-
InChIKey VDXWSLDXYJGELA-MEFDUVCQSA-N
Molecular Weight 368.429 g/mol
SMILES C1C2(C[C@]3(C[C@@]1(C[C@](C3)(C2)[H])[H])[H])C(C=1C(Oc2cc(cc(c2C1)OC)OC)=O)=O
SPLASH splash10-015i-0879000000-733e7ff3383068c3b4bb
Source of Spectrum APC-316-963-3f
Synonyms 3-((3r,5r,7r)-adamantane-1-carbonyl)-5,7-dimethoxy-2H-chromen-2-one
Wiley ID 1788056