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1,3,5,7-Cyclooctatetraene-1-propanol, acetate
SpectraBase Compound ID ECaRaS2EuwA
InChI InChI=1S/C13H16O2/c1-12(14)15-11-7-10-13-8-5-3-2-4-6-9-13/h2-6,8-9H,7,10-11H2,1H3/b3-2-,4-2-,5-3-,6-4-,8-5-,9-6-,13-8+,13-9+
InChIKey NVUNZZPNJPQKAB-BJYSZTAHSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4u3Dj4jJcC6
Name 1,3,5,7-Cyclooctatetraene-1-propanol, acetate
CAS Registry Number 57671-08-6
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-12(14)15-11-7-10-13-8-5-3-2-4-6-9-13/h2-6,8-9H,7,10-11H2,1H3/b3-2-,4-2-,5-3-,6-4-,8-5-,9-6-,13-8+,13-9+
InChIKey NVUNZZPNJPQKAB-BJYSZTAHSA-N
Molecular Weight 204.269 g/mol
SMILES C(\C=1\C=C/C=C\C=C/C/1)CCOC(=O)C
SPLASH splash10-004i-0930000000-9f149e31c844a18d1ef3
Source of Spectrum B-28-2251-0
Synonyms 3-(1,3,5,7-cyclooctatetraenyl)propyl acetate 3-Cyclooctatetraenylpropyl acetate
Wiley ID 1201997