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(S)-3-Hydroxy-2-(3-oxo-3-(4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)propyl)cyclohex-2-en-1-one
SpectraBase Compound ID ExhVsNy33cY
InChI InChI=1S/C18H24O3/c1-12(2)13-6-8-14(9-7-13)16(19)11-10-15-17(20)4-3-5-18(15)21/h8,13,20H,1,3-7,9-11H2,2H3/t13-/m1/s1
InChIKey KSWHHPCXGZYLFG-CYBMUJFWSA-N
Mol Weight 288.39 g/mol
Molecular Formula C18H24O3
Exact Mass 288.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlZyUOksU2o
Name (S)-3-Hydroxy-2-(3-oxo-3-(4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)propyl)cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.172544630 u
Formula C18H24O3
InChI InChI=1S/C18H24O3/c1-12(2)13-6-8-14(9-7-13)16(19)11-10-15-17(20)4-3-5-18(15)21/h8,13,20H,1,3-7,9-11H2,2H3/t13-/m1/s1
InChIKey KSWHHPCXGZYLFG-CYBMUJFWSA-N
Instrument Name FINNIGAN SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102959
Molecular Weight 288.387 g/mol
Quality 30
Reported Formula C18H24O3
SMILES OC1=C(C(CCC1)=O)CCC(C1=CC[C@](CC1)(C(=C)C)[H])=O
SPLASH splash10-014r-0490000000-c7ebe1fd827b474f1429
Source of Spectrum QE-27-SM11-3Af (DOI: 10.1002/chem.202102959)
Wiley ID 1904189