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3-Adamantyloxo-7,8-benzocoumarine
SpectraBase Compound ID CMdavakr9c0
InChI InChI=1S/C24H22O3/c25-22(24-11-14-7-15(12-24)9-16(8-14)13-24)20-10-19-18-4-2-1-3-17(18)5-6-21(19)27-23(20)26/h1-6,10,14-16H,7-9,11-13H2/t14-,15+,16-,24-
InChIKey DZCIQLNSJVINEB-FNTHXKTLSA-N
Mol Weight 358.44 g/mol
Molecular Formula C24H22O3
Exact Mass 358.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HFubJLfKOX
Name 3-Adamantyloxo-7,8-benzocoumarine
Alternate Name(s) 2-((3r,5r,7r)-adamantane-1-carbonyl)-3H-benzo[f]chromen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O3
InChI InChI=1S/C24H22O3/c25-22(24-11-14-7-15(12-24)9-16(8-14)13-24)20-10-19-18-4-2-1-3-17(18)5-6-21(19)27-23(20)26/h1-6,10,14-16H,7-9,11-13H2/t14-,15+,16-,24-
InChIKey DZCIQLNSJVINEB-FNTHXKTLSA-N
Molecular Weight 358.437 g/mol
SMILES C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])C(C=1C(Oc2ccc3c(c2C1)cccc3)=O)=O)[H])[H]
SPLASH splash10-000i-0903000000-3adb3b8a2448118f07b0
Source of Spectrum APC-316-963-3h
Wiley ID 1788058