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5-Hepten-2-one-4,4-D2, 6-methyl-
SpectraBase Compound ID JbQzHoaeK5R
InChI InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3/i4D2
InChIKey UHEPJGULSIKKTP-APZFVMQVSA-N
Mol Weight 128.21 g/mol
Molecular Formula C8H12D2O
Exact Mass 128.117019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1n3qkAytDAM
Name 5-Hepten-2-one-4,4-D2, 6-methyl-
CAS Registry Number 55320-90-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12D2O
InChI InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3/i4D2
InChIKey UHEPJGULSIKKTP-APZFVMQVSA-N
Molecular Weight 128.211 g/mol
SMILES C(=CC(CC(=O)C)([D])[D])(C)C
SPLASH splash10-0006-9200000000-e6f5c4eb7f75ae59dd11
Source of Spectrum KC-1989-1813-5
Synonyms 6-Methyl-4,4-dideuterio]hept-5-en-2-one
Wiley ID 1130336