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3,4-Diphenylisoquinolin-1(2H)-one-5,6,7,8-D4
SpectraBase Compound ID 8dldSHaOs3X
InChI InChI=1S/C21H15NO/c23-21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(22-21)16-11-5-2-6-12-16/h1-14H,(H,22,23)/i7D,8D,13D,14D
InChIKey IAFCVINNWDJDCA-ZZRPVTOQSA-N
Mol Weight 301.38 g/mol
Molecular Formula C21H11D4NO
Exact Mass 301.140471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jWinmvNUEu
Name 3,4-Diphenylisoquinolin-1(2H)-one-5,6,7,8-D4
Alternate Name(s) 5,6,7,8-Tetradeutero-3,4-diphenylisoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H11D4NO
InChI InChI=1S/C21H15NO/c23-21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(22-21)16-11-5-2-6-12-16/h1-14H,(H,22,23)/i7D,8D,13D,14D
InChIKey IAFCVINNWDJDCA-ZZRPVTOQSA-N
Literature Reference DOI 10.1021/jo501884v
Molecular Weight 301.381 g/mol
SMILES N1C(c2c(c(c(c(c2C(=C1c1ccccc1)c1ccccc1)[D])[D])[D])[D])=O
SPLASH splash10-0udi-0019000000-ff935b9c093640ea77fe
Source of Spectrum J-79-12081-[D4]_3aa
Wiley ID 1755658