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3-(1-adamantyl)-2H-isoquinolin-1-one
SpectraBase Compound ID FIVrWTPDm3x
InChI InChI=1S/C19H21NO/c21-18-16-4-2-1-3-15(16)8-17(20-18)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14H,5-7,9-11H2,(H,20,21)/t12-,13+,14-,19-
InChIKey ZJMIDMXTRNTMOF-KRFSREQESA-N
Mol Weight 279.38 g/mol
Molecular Formula C19H21NO
Exact Mass 279.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsgwX70vyuX
Name 3-(1-adamantyl)-2H-isoquinolin-1-one
Alternate Name(s) 3-(1-Adamantyl)isocarbostyril
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO
InChI InChI=1S/C19H21NO/c21-18-16-4-2-1-3-15(16)8-17(20-18)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14H,5-7,9-11H2,(H,20,21)/t12-,13+,14-,19-
InChIKey ZJMIDMXTRNTMOF-KRFSREQESA-N
Molecular Weight 279.383 g/mol
SMILES N1C(=Cc2c(C1=O)cccc2)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]
SPLASH splash10-004i-2090000000-af2aee832b72ab7a368f
Source of Spectrum K1-0-3900-11
Wiley ID 1589331