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1-[(1R,5S)-2,2,5-trimethylcyclopentyl]-2-propyn-1-one
SpectraBase Compound ID LRbUhJmXjTk
InChI InChI=1S/C11H16O/c1-5-9(12)10-8(2)6-7-11(10,3)4/h1,8,10H,6-7H2,2-4H3/t8-,10-/m0/s1
InChIKey DTBWMTDRBRVTTB-WPRPVWTQSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jj5PCvjDzGb
Name 1-[(1R,5S)-2,2,5-trimethylcyclopentyl]-2-propyn-1-one
CAS Registry Number 85544-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c1-5-9(12)10-8(2)6-7-11(10,3)4/h1,8,10H,6-7H2,2-4H3/t8-,10-/m0/s1
InChIKey DTBWMTDRBRVTTB-WPRPVWTQSA-N
Molecular Weight 164.248 g/mol
SMILES C(C([C@]1(C(CC[C@@]1(C)[H])(C)C)[H])=O)#C
SPLASH splash10-0002-9100000000-7f80b690ab13ee598ec2
Source of Spectrum H-65-2418-0
Synonyms 1-[(1R,5S)-2,2,5-trimethylcyclopentyl]prop-2-yn-1-one
Wiley ID 1160720