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WTRXKCNFPMTAJV-KPKJPENVSA-N
SpectraBase Compound ID 2CqghfMAb6G
InChI InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+
InChIKey WTRXKCNFPMTAJV-KPKJPENVSA-N
Mol Weight 200.24 g/mol
Molecular Formula C13H12O2
Exact Mass 200.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcxyHxWbsj1
Name Tonghaosu <(E)->
CAS Registry Number 50257-98-2
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 200.083729624 u
Formula C13H12O2
InChI InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+
InChIKey WTRXKCNFPMTAJV-KPKJPENVSA-N
Molecular Weight 200.237 g/mol
Number of Peaks 50
RI1 1895
RI2 1570
SMILES C1CCC2(O1)C=C\C(O2)=C/C#CC#CC
SPLASH splash10-0ufr-6920000000-30f9fb56465eb8eb83bf
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 1,6-Dioxaspiro[4.4]non-3-ene, 2-(2,4-hexadiynylidene)-, (2E)-
Wiley ID LM_FFNSC3_1198