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Methyl (2E,4E)-5-(benzo[b]thiophen-2-yl)-4-(2-hydroxyphenyl)hexa-2,4-dienoate
SpectraBase Compound ID GipRlFkIecL
InChI InChI=1S/C21H18O3S/c1-14(20-13-15-7-3-6-10-19(15)25-20)16(11-12-21(23)24-2)17-8-4-5-9-18(17)22/h3-13,22H,1-2H3/b12-11+,16-14+
InChIKey ATBCMGPCEYCJNY-SIDAKMONSA-N
Mol Weight 350.43 g/mol
Molecular Formula C21H18O3S
Exact Mass 350.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiWXz8RXKQF
Name Methyl (2E,4E)-5-(benzo[b]thiophen-2-yl)-4-(2-hydroxyphenyl)hexa-2,4-dienoate
Appearance Yellow oil
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Exact Mass 350.097665611 u
Formula C21H18O3S
InChI InChI=1S/C21H18O3S/c1-14(20-13-15-7-3-6-10-19(15)25-20)16(11-12-21(23)24-2)17-8-4-5-9-18(17)22/h3-13,22H,1-2H3/b12-11+,16-14+
InChIKey ATBCMGPCEYCJNY-SIDAKMONSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201803360
Molecular Weight 350.432 g/mol
Quality 431
Reported Formula C21H18O3S
SMILES OC1=C(\C(\C=C\C(OC)=O)=C/(C)C2=CC3=C(S2)C=CC=C3)C=CC=C1
SPLASH splash10-0f6x-0195000000-eab9d8c2f02edf1d7b54
Source of Spectrum QE-24-SM9-40i (DOI: 10.1002/chem.201803360)
Wiley ID 1901837