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Oplopanonyl acetate
SpectraBase Compound ID 4qZ5hnoX7qu
InChI InChI=1S/C17H28O3/c1-10(2)13-8-9-17(5,20-12(4)19)15-7-6-14(11(3)18)16(13)15/h10,13-16H,6-9H2,1-5H3/t13-,14+,15?,16?,17+/m0/s1
InChIKey DMVJXSFUJUHRRF-WHHARQNVSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMbREvq3klQ
Name Oplopanonyl acetate
CAS Registry Number 132032-86-1
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 280.203844759 u
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-10(2)13-8-9-17(5,20-12(4)19)15-7-6-14(11(3)18)16(13)15/h10,13-16H,6-9H2,1-5H3/t13-,14+,15?,16?,17+/m0/s1
InChIKey DMVJXSFUJUHRRF-WHHARQNVSA-N
Molecular Weight 280.408 g/mol
Number of Peaks 50
RI1 1893
SMILES [C@@]1(CC[C@@](C)(OC(C)=O)C2CC[C@@](C12)(C(C)=O)[H])(C(C)C)[H]
SPLASH splash10-002f-8920000000-bb0532bd19ae61f3fc5e
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 Ethanone, 1-[(1S,3aR,4R,7S,7aS)-4-(acetyloxy)octahydro-4-methyl-7-(1-methylethyl)-1H-inden-1-yl]-
Wiley ID LM_FFNSC3_2182