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6-(3-Buten-1-ynyl)-7,8,9,10-tetrahydro-6(5H)-benzocyclooctenol
SpectraBase Compound ID ZGCnxfz5QS
InChI InChI=1S/C16H18O/c1-2-3-11-16(17)12-7-6-9-14-8-4-5-10-15(14)13-16/h2,4-5,8,10,17H,1,6-7,9,12-13H2
InChIKey XFEYDIUKJCAVLC-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C16H18O
Exact Mass 226.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAfi1KR9gfp
Name 6-(3-Buten-1-ynyl)-7,8,9,10-tetrahydro-6(5H)-benzocyclooctenol
CAS Registry Number 64870-99-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O
InChI InChI=1S/C16H18O/c1-2-3-11-16(17)12-7-6-9-14-8-4-5-10-15(14)13-16/h2,4-5,8,10,17H,1,6-7,9,12-13H2
InChIKey XFEYDIUKJCAVLC-UHFFFAOYSA-N
Molecular Weight 226.319 g/mol
SMILES OC1(C#CC=C)Cc2c(cccc2)CCCC1
SPLASH splash10-004i-9010000000-0aba1baf498317c99cd4
Source of Spectrum J-43-1055-0
Synonyms 6-(3-buten-1-ynyl)-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-6-ol
Wiley ID 1228202