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9-Hydroxymegastigm-7-en-3-one
SpectraBase Compound ID 7vA0Fnu3jzm
InChI InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,9-10,12,14H,7-8H2,1-4H3/b6-5+
InChIKey WFSOPDPEWLYCRX-AATRIKPKSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CeEeKL3xX08
Name 9-Hydroxymegastigm-7-en-3-one
Alternate Name(s) 4-[(E)-3-hydroxybut-1-enyl]-3,3,5-trimethyl-1-cyclohexanone 4-[(E)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one 3,3,5-trimethyl-4-[(E)-3-oxidanylbut-1-enyl]cyclohexan-1-one
CAS Registry Number 52210-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,9-10,12,14H,7-8H2,1-4H3/b6-5+
InChIKey WFSOPDPEWLYCRX-AATRIKPKSA-N
Molecular Weight 210.317 g/mol
SMILES OC(\C=C\C1C(CC(CC1C)=O)(C)C)C
SPLASH splash10-0006-9300000000-202281bca23d3b37f61e
Source of Spectrum B-42-2083-11
Wiley ID 1209642