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3-Methyl-4-propyl-7,8-(benzo)-9-oxatricyclo[4.2.1.0(2,5)]non-3-ene
SpectraBase Compound ID DX3kThnABlV
InChI InChI=1S/C16H18O/c1-3-6-10-9(2)13-14(10)16-12-8-5-4-7-11(12)15(13)17-16/h4-5,7-8,13-16H,3,6H2,1-2H3/t13-,14+,15+,16-/m0/s1
InChIKey QJYAEUSTKHUXNJ-JJXSEGSLSA-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 J6OyDoVXeaa
Name 3-Methyl-4-propyl-7,8-(benzo)-9-oxatricyclo[4.2.1.0(2,5)]non-3-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O
InChI InChI=1S/C16H18O/c1-3-6-10-9(2)13-14(10)16-12-8-5-4-7-11(12)15(13)17-16/h4-5,7-8,13-16H,3,6H2,1-2H3/t13-,14+,15+,16-/m0/s1
InChIKey QJYAEUSTKHUXNJ-JJXSEGSLSA-N
Molecular Weight 226.319 g/mol
SMILES C1(=C(CCC)[C@@]2([C@]1([C@@]1(O[C@]2(c2c1cccc2)[H])[H])[H])[H])C
SPLASH splash10-004j-0900000000-789f5ecd20f68dea9376
Source of Spectrum J-66-8809-8
Wiley ID 1568787