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Cantleyine
SpectraBase Compound ID In48UIm1rTU
InChI InChI=1S/C11H13NO3/c1-6-8-4-12-5-9(11(14)15-2)7(8)3-10(6)13/h4-6,10,13H,3H2,1-2H3/t6-,10+/m1/s1
InChIKey MJGLQDXKEOEIFB-LDWIPMOCSA-N
Mol Weight 207.23 g/mol
Molecular Formula C11H13NO3
Exact Mass 207.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TN0dr5KMre
Name Cantleyine
Alternate Name(s) (6S,7R)-6-hydroxy-7-methyl-2-pyrindan-4-carboxylic acid methyl ester (6S,7R)-6-hydroxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid methyl ester Methyl (6S,7R)-6-hydroxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate Methyl (6S,7R)-7-methyl-6-oxidanyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate
CAS Registry Number 30333-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO3
InChI InChI=1S/C11H13NO3/c1-6-8-4-12-5-9(11(14)15-2)7(8)3-10(6)13/h4-6,10,13H,3H2,1-2H3/t6-,10+/m1/s1
InChIKey MJGLQDXKEOEIFB-LDWIPMOCSA-N
Molecular Weight 207.229 g/mol
SMILES O[C@]1(Cc2c(C(=O)OC)cncc2[C@]1(C)[H])[H]
SPLASH splash10-002b-4910000000-5852f5ffd2d402ad7895
Source of Spectrum CD-213-0-0
Wiley ID 1205692