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(3aS,4aR,7R,8aR)-7-(benzo[d][1,3]dioxol-5-yl)-2-oxo-4,4a,6,7-tetrahydro-3aH-[1,3]dioxolo[4,5-f]indole-5(8aH)-carbonyl chloride
SpectraBase Compound ID 3B0Faly3unu
InChI InChI=1S/C17H14ClNO6/c18-16(20)19-6-10(8-1-2-12-13(3-8)23-7-22-12)9-4-14-15(5-11(9)19)25-17(21)24-14/h1-4,10-11,14-15H,5-7H2/t10-,11-,14-,15+/m1/s1
InChIKey JJSAEJQGLQJMAU-FKGLVLAHSA-N
Mol Weight 363.75 g/mol
Molecular Formula C17H14ClNO6
Exact Mass 363.050965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cAQqlA6VMr
Name (3aS,4aR,7R,8aR)-7-(benzo[d][1,3]dioxol-5-yl)-2-oxo-4,4a,6,7-tetrahydro-3aH-[1,3]dioxolo[4,5-f]indole-5(8aH)-carbonyl chloride
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Formula C17H14ClNO6
InChI InChI=1S/C17H14ClNO6/c18-16(20)19-6-10(8-1-2-12-13(3-8)23-7-22-12)9-4-14-15(5-11(9)19)25-17(21)24-14/h1-4,10-11,14-15H,5-7H2/t10-,11-,14-,15+/m1/s1
InChIKey JJSAEJQGLQJMAU-FKGLVLAHSA-N
Literature Reference DOI 10.1021/ol071344y
Molecular Weight 363.753 g/mol
SMILES C1[C@@]2(C(=C[C@]3(OC(O[C@@]13[H])=O)[H])[C@@](c1cc3c(cc1)OCO3)(CN2C(Cl)=O)[H])[H]
SPLASH splash10-0829-3948000000-391b08af4664366165fc
Source of Spectrum A1-9-3503/SMS25-23
Wiley ID 1758437