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3-Cyclohepten-1-one-5-D, 2,6,6-trimethyl-
SpectraBase Compound ID 3YnwzehgEfO
InChI InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-5,8H,6-7H2,1-3H3/i6D
InChIKey CHJAOEGJZUJAFK-RAMDWTOOSA-N
Mol Weight 153.24 g/mol
Molecular Formula C10H15DO
Exact Mass 153.126392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZEAmMtr7vA
Name 3-Cyclohepten-1-one-5-D, 2,6,6-trimethyl-
Alternate Name(s) 5-Deuterio-2,6,6-trimethyl-cyclohept-3-en-1-one
CAS Registry Number 58795-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15DO
InChI InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-5,8H,6-7H2,1-3H3/i6D
InChIKey CHJAOEGJZUJAFK-RAMDWTOOSA-N
Molecular Weight 153.243 g/mol
SMILES C1(CC(C([D])C=CC1C)(C)C)=O
SPLASH splash10-00kb-9200000000-a11b85400da33f1ae3b0
Source of Spectrum H-59-96-22
Wiley ID 1150016