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4-(5-Chrysenyl)butanoic acid

View entire compound with spectra: 1 MS (GC)

4-(5-Chrysenyl)butanoic acid
SpectraBase Compound ID 7PKqNNT5lrI
InChI InChI=1S/C22H18O2/c23-21(24)11-5-8-17-14-16-7-2-3-9-18(16)20-13-12-15-6-1-4-10-19(15)22(17)20/h1-4,6-7,9-10,12-14H,5,8,11H2,(H,23,24)
InChIKey XZURQWUJOAQJCZ-UHFFFAOYSA-N
Mol Weight 314.38 g/mol
Molecular Formula C22H18O2
Exact Mass 314.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQiRnPXvbSC
Name 4-(5-Chrysenyl)butanoic acid
Alternate Name(s) 4-Chrysen-5-ylbutanoic acid 4-Chrysen-5-ylbutyric acid
CAS Registry Number 110971-69-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O2
InChI InChI=1S/C22H18O2/c23-21(24)11-5-8-17-14-16-7-2-3-9-18(16)20-13-12-15-6-1-4-10-19(15)22(17)20/h1-4,6-7,9-10,12-14H,5,8,11H2,(H,23,24)
InChIKey XZURQWUJOAQJCZ-UHFFFAOYSA-N
Molecular Weight 314.384 g/mol
SMILES OC(CCCc1c2c(c3c(c1)cccc3)ccc1ccccc21)=O
SPLASH splash10-01p6-0093000000-17d6703d9aff05f9921a
Source of Spectrum J-52-5579-5
Wiley ID 1315651