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2,2-Dimethylpropanoic acid 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl ester
SpectraBase Compound ID 6nxbETJWQpx
InChI InChI=1S/C25H24O2/c1-25(2,3)24(26)27-21-9-5-8-18-19-13-12-16-7-4-6-15-10-11-17(14-20(18)21)23(19)22(15)16/h4,6-7,10-14,21H,5,8-9H2,1-3H3
InChIKey PUDZVIKCMOOQRZ-UHFFFAOYSA-N
Mol Weight 356.47 g/mol
Molecular Formula C25H24O2
Exact Mass 356.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlYshRzJbnT
Name 2,2-Dimethylpropanoic acid 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl ester
Alternate Name(s) 2,2-Dimethylpropionic acid 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl ester 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl 2,2-dimethylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24O2
InChI InChI=1S/C25H24O2/c1-25(2,3)24(26)27-21-9-5-8-18-19-13-12-16-7-4-6-15-10-11-17(14-20(18)21)23(19)22(15)16/h4,6-7,10-14,21H,5,8-9H2,1-3H3
InChIKey PUDZVIKCMOOQRZ-UHFFFAOYSA-N
Molecular Weight 356.465 g/mol
SMILES c12c3c4CCCC(OC(C(C)(C)C)=O)c4cc2ccc2c1c(cc3)ccc2
SPLASH splash10-0zfr-0190000000-580851fc2faf81e4ad5f
Source of Spectrum J-60-4938-1
Wiley ID 1346233