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16-Methoxycleavaminium perchlorotetraoxide (7-Ethyl-6-methoxy-6,6a-seco-9,10,12,13-tetrahydro-6,9-methano-5H-pyrido[1',2':1,2]azepino[4,5-b]indole-6(6aH)-carboxylic acid methyl ester perchlorotetraoxide)
SpectraBase Compound ID EcL5PSoeI0G
InChI InChI=1S/C22H27N2O3.ClHO4/c1-4-15-11-16-12-22(27-3,21(25)26-2)20-18(9-10-24(13-15)14-16)17-7-5-6-8-19(17)23-20;2-1(3,4)5/h5-8,11,13,16,23H,4,9-10,12,14H2,1-3H3;(H,2,3,4,5)/q+1;/p-1/t16-,22?;/m1./s1
InChIKey FLWNADLMSOYNNT-NWXNRHFJSA-M
Mol Weight 466.92 g/mol
Molecular Formula C22H27ClN2O7
Exact Mass 466.150679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdqBG6EckhZ
Name 16-Methoxycleavaminium perchlorotetraoxide (7-Ethyl-6-methoxy-6,6a-seco-9,10,12,13-tetrahydro-6,9-methano-5H-pyrido[1',2':1,2]azepino[4,5-b]indole-6(6aH)-carboxylic acid methyl ester perchlorotetraoxide)
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Formula C22H27ClN2O7
InChI InChI=1S/C22H27N2O3.ClHO4/c1-4-15-11-16-12-22(27-3,21(25)26-2)20-18(9-10-24(13-15)14-16)17-7-5-6-8-19(17)23-20;2-1(3,4)5/h5-8,11,13,16,23H,4,9-10,12,14H2,1-3H3;(H,2,3,4,5)/q+1;/p-1/t16-,22?;/m1./s1
InChIKey FLWNADLMSOYNNT-NWXNRHFJSA-M
Molecular Weight 466.918 g/mol
SMILES [Cl]([O-])(=O)(=O)=O.[nH]1c2ccccc2c2CC[N+]3=CC(=C[C@](CC(c12)(C(=O)OC)OC)(C3)[H])CC
SPLASH splash10-0596-7914000000-eb8b2f2502a2bf1329c4
Source of Spectrum KC-0-2744-2
Wiley ID 822164