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Dimethyl-isopropyl-dibenzo-bicyclo[4.2.0]octa-triene
SpectraBase Compound ID IKbVXLgWOUb
InChI InChI=1S/C21H22/c1-12(2)17-11-18-15-9-5-7-13(3)19(15)20-14(4)8-6-10-16(20)21(17)18/h5-12,18,21H,1-4H3
InChIKey JJUKFFLKXHXGOC-UHFFFAOYSA-N
Mol Weight 274.41 g/mol
Molecular Formula C21H22
Exact Mass 274.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CoV9itJIpI
Name Dimethyl-isopropyl-dibenzo-bicyclo[4.2.0]octa-triene
CAS Registry Number 127709-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22
InChI InChI=1S/C21H22/c1-12(2)17-11-18-15-9-5-7-13(3)19(15)20-14(4)8-6-10-16(20)21(17)18/h5-12,18,21H,1-4H3
InChIKey JJUKFFLKXHXGOC-UHFFFAOYSA-N
Molecular Weight 274.407 g/mol
SMILES CC(C=1C2C(c3c(c(C)ccc3)-c3c2cccc3C)C1)C
SPLASH splash10-052f-0980000000-5957af615a1614b35f28
Source of Spectrum K-123-2367-24
Wiley ID 1278783