4-Methyl-1-triptycybenzo[c]phenanthrene

SpectraBase Compound ID	3OFDezWGBnL
InChI	InChI=1S/C39H26/c1-24-18-23-35(38-27(24)22-21-26-20-19-25-10-2-3-11-28(25)36(26)38)39-32-15-7-4-12-29(32)37(30-13-5-8-16-33(30)39)31-14-6-9-17-34(31)39/h2-23,37H,1H3
InChIKey	WFPYDAXFACWEPO-UHFFFAOYSA-N Google Search
Mol Weight	494.6 g/mol
Molecular Formula	C39H26
Exact Mass	494.203451 g/mol

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SpectraBase Spectrum ID	3wkwxb6mTqO
Name	4-Methyl-1-triptycybenzo[c]phenanthrene
Alternate Name(s)	1-(4-methylbenzo[c]phenanthren-1-yl)pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C39H26
InChI	InChI=1S/C39H26/c1-24-18-23-35(38-27(24)22-21-26-20-19-25-10-2-3-11-28(25)36(26)38)39-32-15-7-4-12-29(32)37(30-13-5-8-16-33(30)39)31-14-6-9-17-34(31)39/h2-23,37H,1H3
InChIKey	WFPYDAXFACWEPO-UHFFFAOYSA-N
Molecular Weight	494.637 g/mol
SMILES	C12(c3c4c5c6c(cccc6)ccc5ccc4c(cc3)C)c3c(cccc3)C(c3c2cccc3)c2c1cccc2
SPLASH	splash10-0udl-0060900000-a973ce0645a7a71dd5ce
Source of Spectrum	J-63-3663-2
Wiley ID	1398033