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2-Oxo-6-phenyl-hexane, 4,5,6-trideutero-
SpectraBase Compound ID LTLvi4lZHZw
InChI InChI=1S/C12H16O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3/i5D,6D,10D
InChIKey RVHCOKLJDUVNOR-QYEISSNSSA-N
Mol Weight 179.28 g/mol
Molecular Formula C12H13D3O
Exact Mass 179.138945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxSdnjRlDyI
Name 2-Oxo-6-phenyl-hexane, 4,5,6-trideutero-
CAS Registry Number 104292-60-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13D3O
InChI InChI=1S/C12H16O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3/i5D,6D,10D
InChIKey RVHCOKLJDUVNOR-QYEISSNSSA-N
Molecular Weight 179.277 g/mol
SMILES C(=O)(CC(C(C(c1ccccc1)[D])[D])[D])C
SPLASH splash10-00r6-9300000000-5c6fc754fe845190f156
Source of Spectrum C-108-7323-0
Synonyms 2-Oxo-6-phenyl-hexane, trideutero-
Wiley ID 1172844