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7-Methoxycarbonylmethylene-4-methoxyimino-1-(phenylsulfonyl)-4,5,6,7-tetrahydro-1H-indole isomer
SpectraBase Compound ID 63zhwEVrwjZ
InChI InChI=1S/C18H18N2O5S/c1-24-17(21)12-13-8-9-16(19-25-2)15-10-11-20(18(13)15)26(22,23)14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3/b13-12+,19-16+
InChIKey OPCMXFOTYBNKBW-DKLJFVBZSA-N
Mol Weight 374.41 g/mol
Molecular Formula C18H18N2O5S
Exact Mass 374.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R2ym7ikDI
Name 7-Methoxycarbonylmethylene-4-methoxyimino-1-(phenylsulfonyl)-4,5,6,7-tetrahydro-1H-indole isomer
Alternate Name(s) 7-Methoxycarbonylmethylene-4-methoxyimino-1-(phenylsulfonyl)-4,5,6,7-tetrahydro-1H-indole methyl (2E)-[(4E)-4-(methoxyimino)-1-(phenylsulfonyl)-1,4,5,6-tetrahydro-7H-indol-7-ylidene]ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C18H18N2O5S
InChI InChI=1S/C18H18N2O5S/c1-24-17(21)12-13-8-9-16(19-25-2)15-10-11-20(18(13)15)26(22,23)14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3/b13-12+,19-16+
InChIKey OPCMXFOTYBNKBW-DKLJFVBZSA-N
Molecular Weight 374.411 g/mol
SMILES c1(S([n]2c3c(\C(=N\OC)CC\C3=C\C(=O)OC)cc2)(=O)=O)ccccc1
SPLASH splash10-0uk9-0079000000-7b641c6248b091a11911
Source of Spectrum E1-39-2834-10
Wiley ID 1519177