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5-Hydroxy-5-(1-methyl-allyl)-2a,3,4,5-tetrahydro-2H-benzo[cd]indole-1-carboxylic acid, ethyl ester
SpectraBase Compound ID 3nmbRvHumCO
InChI InChI=1S/C18H23NO3/c1-4-12(3)18(21)10-9-13-11-19(17(20)22-5-2)15-8-6-7-14(18)16(13)15/h4,6-8,12-13,21H,1,5,9-11H2,2-3H3
InChIKey NYAPVIMELRREHM-UHFFFAOYSA-N
Mol Weight 301.39 g/mol
Molecular Formula C18H23NO3
Exact Mass 301.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jjHrnJRhR3
Name 5-Hydroxy-5-(1-methyl-allyl)-2a,3,4,5-tetrahydro-2H-benzo[cd]indole-1-carboxylic acid, ethyl ester
Alternate Name(s) Ethyl 5-hydroxy-5-(1-methyl-2-propenyl)-2a,3,4,5-tetrahydrobenzo[cd]indole-1(2H)-carboxylate 5-But-3-en-2-yl-5-hydroxy-2,2a,3,4-tetrahydrobenzo[cd]indole-1-carboxylic acid ethyl ester Ethyl 5-but-3-en-2-yl-5-hydroxy-2,2a,3,4-tetrahydrobenzo[cd]indole-1-carboxylate Ethyl 5-hydroxy-5-(1-methylallyl)-2,2a,3,4-tetrahydrobenzo[cd]indole-1-carboxylate Ethyl 5-but-3-en-2-yl-5-oxidanyl-2,2a,3,4-tetrahydrobenzo[cd]indole-1-carboxylate
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Formula C18H23NO3
InChI InChI=1S/C18H23NO3/c1-4-12(3)18(21)10-9-13-11-19(17(20)22-5-2)15-8-6-7-14(18)16(13)15/h4,6-8,12-13,21H,1,5,9-11H2,2-3H3
InChIKey NYAPVIMELRREHM-UHFFFAOYSA-N
Molecular Weight 301.386 g/mol
SMILES OC1(CCC2c3c(cccc13)N(C2)C(=O)OCC)C(C)C=C
SPLASH splash10-0032-4950000000-21d5491b2159112224e0
Wiley ID 1484640