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Cyclopentanone, 3-(hydroxymethyl)-2,2,3-trimethyl-5-(phenylmethylene)-, (R)-
SpectraBase Compound ID EVPDNOnzO77
InChI InChI=1S/C16H20O2/c1-15(2)14(18)13(10-16(15,3)11-17)9-12-7-5-4-6-8-12/h4-9,17H,10-11H2,1-3H3/b13-9+
InChIKey AMRJJHGMXCWPOO-UKTHLTGXSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZEWoHdJJKk
Name Cyclopentanone, 3-(hydroxymethyl)-2,2,3-trimethyl-5-(phenylmethylene)-, (R)-
CAS Registry Number 87798-68-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-15(2)14(18)13(10-16(15,3)11-17)9-12-7-5-4-6-8-12/h4-9,17H,10-11H2,1-3H3/b13-9+
InChIKey AMRJJHGMXCWPOO-UKTHLTGXSA-N
Molecular Weight 244.334 g/mol
SMILES OCC1(C\C(C(C1(C)C)=O)=C/c1ccccc1)C
SPLASH splash10-02u3-4690000000-29b38237dd0edbd2df33
Source of Spectrum KC-1983-1471-0
Synonyms (5E)-5-benzylidene-3-(hydroxymethyl)-2,2,3-trimethylcyclopentanone 5-Benzylidene-3-hydroxymethyl-2,2,3-trimethylcyclopentan-1-one
Wiley ID 1247427