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GCRYBHUTYSZNKJ-UHFFFAOYSA-N
SpectraBase Compound ID Ldv77OrJVdR
InChI InChI=1S/C18H16/c1-2-17-13-16-8-7-14-3-5-15(6-4-14)9-11-18(17)12-10-16/h1,3-6,10,12-13H,7-9,11H2
InChIKey GCRYBHUTYSZNKJ-UHFFFAOYSA-N
Mol Weight 232.33 g/mol
Molecular Formula C18H16
Exact Mass 232.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID x2b9VxY9I
Name Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene, 5-ethynyl-
CAS Registry Number 111870-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16
InChI InChI=1S/C18H16/c1-2-17-13-16-8-7-14-3-5-15(6-4-14)9-11-18(17)12-10-16/h1,3-6,10,12-13H,7-9,11H2
InChIKey GCRYBHUTYSZNKJ-UHFFFAOYSA-N
Molecular Weight 232.326 g/mol
SMILES C(c1c2ccc(c1)CCc1ccc(CC2)cc1)#C
SPLASH splash10-0fai-0950000000-007a657cab54d910c631
Source of Spectrum C5-2004-2754-11
Wiley ID 1617587