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(1R)-(+)-Nopinone
SpectraBase Compound ID 9IoJqUJnbjN
InChI InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3
InChIKey XZFDKWMYCUEKSS-UHFFFAOYSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3332b7Kisal
Name Nopinone
CAS Registry Number 24903-95-5
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 138.104465070 u
Formula C9H14O
InChI InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3
InChIKey XZFDKWMYCUEKSS-UHFFFAOYSA-N
Molecular Weight 138.210 g/mol
Number of Peaks 50
RI1 1139
RI2 816
SMILES C1(C2CCC(C1C2)=O)(C)C
SPLASH splash10-053s-9100000000-1b028cb5996c7b8b3096
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-
Wiley ID LM_FFNSC3_1691