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cis,exo-5n-Butyl-1,2,3,4,4a,8b-hexahydro-1,4-methanobiphenylene
SpectraBase Compound ID FvVVUSEqPJb
InChI InChI=1S/C17H22/c1-2-3-5-11-6-4-7-14-15(11)17-13-9-8-12(10-13)16(14)17/h4,6-7,12-13,16-17H,2-3,5,8-10H2,1H3/t12-,13+,16-,17-/m1/s1
InChIKey VBOUXRPSYQJHPZ-DLTLXFJOSA-N
Mol Weight 226.36 g/mol
Molecular Formula C17H22
Exact Mass 226.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fYXSE0LKNV
Name cis,exo-5n-Butyl-1,2,3,4,4a,8b-hexahydro-1,4-methanobiphenylene
Alternate Name(s) 4-Butyltetracyclo[8.2.1.0(2,9).0(3,8)]trideca-3,5,7-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22
InChI InChI=1S/C17H22/c1-2-3-5-11-6-4-7-14-15(11)17-13-9-8-12(10-13)16(14)17/h4,6-7,12-13,16-17H,2-3,5,8-10H2,1H3/t12-,13+,16-,17-/m1/s1
InChIKey VBOUXRPSYQJHPZ-DLTLXFJOSA-N
Molecular Weight 226.363 g/mol
SMILES [C@@]12([C@@]([C@]3(C[C@@]2(CC3)[H])[H])([H])c2c1c(ccc2)CCCC)[H]
SPLASH splash10-002u-0900000000-7a39479d1d1eaad69637
Source of Spectrum F-55-6602-3
Wiley ID 838016