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Pyrene, 1-methyl-
SpectraBase Compound ID H33VHE0WCX7
InChI InChI=1S/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3
InChIKey KBSPJIWZDWBDGM-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C17H12
Exact Mass 216.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JB59tE5uKl
Name Pyrene, 1-methyl-
Alternate Name(s) 3-Methylpyrene BRN 1868500 CCRIS 6066 EINECS 219-178-8 HSDB 2162 NSC 90776
CAS Registry Number 2381-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12
InChI InChI=1S/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3
InChIKey KBSPJIWZDWBDGM-UHFFFAOYSA-N
Molecular Weight 216.283 g/mol
SMILES Cc1c2c3c4c(cccc4ccc3cc1)cc2
SPLASH splash10-014i-1290000000-812194c23f9966f3a37d
Source of Spectrum AA-0-1537-2
Wiley ID 1216216