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6,8-Dichloro-7-mesyloxy-1-methoxy-2-[N-(1-oxo-4m6-dimethyldodeca-2,4-dienyl)amino]-3,4-dihydro-2H-benzo[b]pyran
SpectraBase Compound ID LTqe58xXLXB
InChI InChI=1S/C25H35Cl2NO6S/c1-6-7-8-9-10-16(2)13-17(3)11-12-21(29)28-20-15-18-14-19(26)24(34-35(5,30)31)22(27)23(18)33-25(20)32-4/h11-14,16,20,25H,6-10,15H2,1-5H3,(H,28,29)/b12-11+,17-13+
InChIKey ROKCPBOXYGFHPY-AETJLUGGSA-N
Mol Weight 548.5 g/mol
Molecular Formula C25H35Cl2NO6S
Exact Mass 547.156214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66v6uwkAuAT
Name 6,8-Dichloro-7-mesyloxy-1-methoxy-2-[N-(1-oxo-4m6-dimethyldodeca-2,4-dienyl)amino]-3,4-dihydro-2H-benzo[b]pyran
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Formula C25H35Cl2NO6S
InChI InChI=1S/C25H35Cl2NO6S/c1-6-7-8-9-10-16(2)13-17(3)11-12-21(29)28-20-15-18-14-19(26)24(34-35(5,30)31)22(27)23(18)33-25(20)32-4/h11-14,16,20,25H,6-10,15H2,1-5H3,(H,28,29)/b12-11+,17-13+
InChIKey ROKCPBOXYGFHPY-AETJLUGGSA-N
Molecular Weight 548.522 g/mol
SMILES N(C1Cc2cc(c(c(c2OC1OC)Cl)OS(=O)(=O)C)Cl)C(\C=C\C(=C\C(CCCCCC)C)C)=O
SPLASH splash10-0002-3376090000-96ded2cd13ff0927a0a3
Source of Spectrum KC-0-3596-17
Synonyms 6,8-Dichloro-7-mesyloxy-1-methoxy-2-[N-(1-oxo-4,6-dimethyl-dodeca-2,4-dienyl)-amino]-3,4-dihydro-2H-benzo[b]pyran
Wiley ID 827006