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2-[N-(t-Butoxycarbonyl)-N-(3'-chloro-2'-propenyl)amino]-4-(benzyloxy)-6-[(benzyloxy)carbonyl]-1-iodonaphthalene
SpectraBase Compound ID BclAa3G14JQ
InChI InChI=1S/C33H31ClINO5/c1-33(2,3)41-32(38)36(18-10-17-34)28-20-29(39-21-23-11-6-4-7-12-23)27-19-25(15-16-26(27)30(28)35)31(37)40-22-24-13-8-5-9-14-24/h4-17,19-20H,18,21-22H2,1-3H3/b17-10+
InChIKey VPZJJCMEHPAEBJ-LICLKQGHSA-N
Mol Weight 684.0 g/mol
Molecular Formula C33H31ClINO5
Exact Mass 683.093546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jwp5MjQX5af
Name 2-[N-(t-Butoxycarbonyl)-N-(3'-chloro-2'-propenyl)amino]-4-(benzyloxy)-6-[(benzyloxy)carbonyl]-1-iodonaphthalene
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Formula C33H31ClINO5
InChI InChI=1S/C33H31ClINO5/c1-33(2,3)41-32(38)36(18-10-17-34)28-20-29(39-21-23-11-6-4-7-12-23)27-19-25(15-16-26(27)30(28)35)31(37)40-22-24-13-8-5-9-14-24/h4-17,19-20H,18,21-22H2,1-3H3/b17-10+
InChIKey VPZJJCMEHPAEBJ-LICLKQGHSA-N
Molecular Weight 683.970 g/mol
SMILES c1(N(C(OC(C)(C)C)=O)C\C=C\Cl)c(c2ccc(C(OCc3ccccc3)=O)cc2c(c1)OCc1ccccc1)I
SPLASH splash10-0006-9000020000-0da8c5a04d001e105a17
Source of Spectrum QE-14-2816-19
Wiley ID 1691991