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5-Benzyloxy-3-[(t-butoxycarbonyl)amino]-1-(chloromethyl)-1,2,6,7,8,9-hexahydro-3H-benz[e]indole
SpectraBase Compound ID 2tt5WHediCg
InChI InChI=1S/C25H30ClNO3/c1-25(2,3)30-24(28)27-15-18(14-26)23-20-12-8-7-11-19(20)22(13-21(23)27)29-16-17-9-5-4-6-10-17/h4-6,9-10,13,18H,7-8,11-12,14-16H2,1-3H3
InChIKey NNYAITHNIFMVCV-UHFFFAOYSA-N
Mol Weight 427.97 g/mol
Molecular Formula C25H30ClNO3
Exact Mass 427.191422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7f2cm8tKe4i
Name 5-Benzyloxy-3-[(t-butoxycarbonyl)amino]-1-(chloromethyl)-1,2,6,7,8,9-hexahydro-3H-benz[e]indole
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Formula C25H30ClNO3
InChI InChI=1S/C25H30ClNO3/c1-25(2,3)30-24(28)27-15-18(14-26)23-20-12-8-7-11-19(20)22(13-21(23)27)29-16-17-9-5-4-6-10-17/h4-6,9-10,13,18H,7-8,11-12,14-16H2,1-3H3
InChIKey NNYAITHNIFMVCV-UHFFFAOYSA-N
Molecular Weight 427.972 g/mol
SMILES c12N(CC(c2c2CCCCc2c(c1)OCc1ccccc1)CCl)C(OC(C)(C)C)=O
SPLASH splash10-006x-9008200000-9776f3c5353f4c59cac6
Source of Spectrum K1-2002-1640-17
Synonyms 5-Benzyloxy-3-(tert-butyloxycarbonylamino)-1-chloromethyl-1,2,6,7,8,9-hexahydro-3H-benz[e]indole iodide
Wiley ID 872216