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p-[3,5,7-Tri-deuterio]-coumaraldehyde
SpectraBase Compound ID LnTQddlAhqp
InChI InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1+/i2D,5D,6D
InChIKey CJXMVKYNVIGQBS-XEFDNHPTSA-N
Mol Weight 151.18 g/mol
Molecular Formula C9H5D3O2
Exact Mass 151.07126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItPVIjRooxB
Name p-[3,5,7-Tri-deuterio]-coumaraldehyde
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Formula C9H5D3O2
InChI InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1+/i2D,5D,6D
InChIKey CJXMVKYNVIGQBS-XEFDNHPTSA-N
Molecular Weight 151.179 g/mol
SMILES Oc1c(cc(cc1[D])\C(=C\C=O)[D])[D]
SPLASH splash10-0udi-1900000000-db9701dc4af7c119ba7b
Source of Spectrum F5-5-811-6--d3
Synonyms (E)-3-deuterio-3-(3,5-dideuterio-4-hydroxyphenyl)-2-propenal (E)-3-deuterio-3-(3,5-dideuterio-4-hydroxyphenyl)prop-2-enal (E)-3-deuterio-3-(3,5-dideuterio-4-hydroxy-phenyl)prop-2-enal (E)-3-deuterio-3-(3,5-dideuterio-4-oxidanyl-phenyl)prop-2-enal
Wiley ID 1733100