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3,4-Diphenyl-5,6,7,8-tetradeutero-1H-isochromen-1-one
SpectraBase Compound ID 4nz2Iw5REiZ
InChI InChI=1S/C21H14O2/c22-21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(23-21)16-11-5-2-6-12-16/h1-14H/i7D,8D,13D,14D
InChIKey QBEHFSAHUYZGNQ-ZZRPVTOQSA-N
Mol Weight 302.37 g/mol
Molecular Formula C21H10D4O2
Exact Mass 302.124487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CudwrTTbOF4
Name 3,4-Diphenyl-5,6,7,8-tetradeutero-1H-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H10D4O2
InChI InChI=1S/C21H14O2/c22-21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(23-21)16-11-5-2-6-12-16/h1-14H/i7D,8D,13D,14D
InChIKey QBEHFSAHUYZGNQ-ZZRPVTOQSA-N
Literature Reference DOI 10.1021/ol2034614
Molecular Weight 302.365 g/mol
SMILES c1([D])c([D])c(c2C(=C(OC(c2c1[D])=O)c1ccccc1)c1ccccc1)[D]
SPLASH splash10-0zmi-6869000000-32f2a5ef464b2221cb27
Source of Spectrum A1-14-930/SMS19-[D4]_3ba
Wiley ID 1750085