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3-ETHOXYBENZOCYCLOHEPTENE
SpectraBase Compound ID 6hasIfmtO9H
InChI InChI=1S/C13H18O/c1-2-14-13-10-6-4-8-11-7-3-5-9-12(11)13/h3,5,7,9,13H,2,4,6,8,10H2,1H3
InChIKey PVNXERWTASPKGN-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeLnb8ZqfHr
Name 5-Ethoxy-6,7,8,9-tetrahydro-5H-benzocycloheptene
CAS Registry Number 108869-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-2-14-13-10-6-4-8-11-7-3-5-9-12(11)13/h3,5,7,9,13H,2,4,6,8,10H2,1H3
InChIKey PVNXERWTASPKGN-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
SMILES c12c(CCCCC2OCC)cccc1
SPLASH splash10-002f-2900000000-cdae2d472170cea2c98e
Source of Spectrum K-120-1664-24
Synonyms 5-Ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
Wiley ID 1187042