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BLUMENOL-C
SpectraBase Compound ID B3I897uZfRt
InChI InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,10,12,14H,5-6,8H2,1-4H3/t10-,12+/m1/s1
InChIKey UEEJDIUOCUCVHN-PWSUYJOCSA-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 BqOqE8h7VhQ
Name (4R)-3,5,5-trimethyl-4-[(3R)-3-oxidanylbutyl]cyclohex-2-en-1-one
Alternate Name(s) (4R)-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethyl-1-cyclohex-2-enone (4R)-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethyl-cyclohex-2-en-1-one (9R)-9-Hydroxy-4-megastigmen-3-one
CAS Registry Number 52691-89-1
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/h7,10,12,14H,5-6,8H2,1-4H3/t10-,12+/m1/s1
InChIKey UEEJDIUOCUCVHN-PWSUYJOCSA-N
Molecular Weight 210.317 g/mol
SMILES O[C@@](CC[C@@]1(C(C)(C)CC(C=C1C)=O)[H])(C)[H]
SPLASH splash10-052f-9600000000-4395043ad913316335fe
Source of Spectrum SB-28-287-92
Wiley ID 1209485