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2-[4-(Thiophene-2-carbonyl)-phenyl]-propionic acid, anthracen-9-ylmethyl ester
SpectraBase Compound ID AyBKC3SqLwI
InChI InChI=1S/C29H22O3S/c1-19(20-12-14-21(15-13-20)28(30)27-11-6-16-33-27)29(31)32-18-26-24-9-4-2-7-22(24)17-23-8-3-5-10-25(23)26/h2-17,19H,18H2,1H3
InChIKey MJIBKZGETUATNW-UHFFFAOYSA-N
Mol Weight 450.55 g/mol
Molecular Formula C29H22O3S
Exact Mass 450.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LO0tHmSieCh
Name 2-[4-(Thiophene-2-carbonyl)-phenyl]-propionic acid, anthracen-9-ylmethyl ester
Alternate Name(s) 2-[4-(2-thenoyl)phenyl]propionic acid 9-anthrylmethyl ester 2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propanoic acid 9-anthracenylmethyl ester 9-Anthrylmethyl 2-[4-(2-thienylcarbonyl)phenyl]propanoate 9-Anthrylmethyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate anthracen-9-ylmethyl 2-(4-thiophen-2-ylcarbonylphenyl)propanoate anthracen-9-ylmethyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate
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Formula C29H22O3S
InChI InChI=1S/C29H22O3S/c1-19(20-12-14-21(15-13-20)28(30)27-11-6-16-33-27)29(31)32-18-26-24-9-4-2-7-22(24)17-23-8-3-5-10-25(23)26/h2-17,19H,18H2,1H3
InChIKey MJIBKZGETUATNW-UHFFFAOYSA-N
Molecular Weight 450.552 g/mol
SMILES c1c2cc3ccccc3c(c2ccc1)COC(=O)C(C)c1ccc(cc1)C(=O)c1cccs1
SPLASH splash10-0006-0900200000-5aa87a500b4810e74172
Wiley ID 1486238