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Cycloprop[b]indole-1-carboxylic acid, 2-(4-chlorobenzoyl)-1,1a,2,6b-tetrahydro-1a-methyl-, ethyl ester, (1.alpha.,1a.alpha.,6b.alpha.)-
SpectraBase Compound ID AOxVlQgfBUY
InChI InChI=1S/C20H18ClNO3/c1-3-25-19(24)17-16-14-6-4-5-7-15(14)22(20(16,17)2)18(23)12-8-10-13(21)11-9-12/h4-11,16-17H,3H2,1-2H3/t16-,17+,20-/m0/s1
InChIKey MKTBENAGPSLSDK-QKLQHJQFSA-N
Mol Weight 355.82 g/mol
Molecular Formula C20H18ClNO3
Exact Mass 355.097521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9w1STkUfSNc
Name Cycloprop[b]indole-1-carboxylic acid, 2-(4-chlorobenzoyl)-1,1a,2,6b-tetrahydro-1a-methyl-, ethyl ester, (1.alpha.,1a.alpha.,6b.alpha.)-
Alternate Name(s) 1-(p-chlorophenylcarbonyl)-2,3-(b-(ethoxycarbonyl)methylene)indoline Cycloprop[b]indole-1-carboxylic acid, 2-(p-chlorobenzoyl)-1,1a,2,6b-tetrahydro-1a-methyl-, ethyl ester, stereoisomer Ethyl (1S,1aS,6bR)-2-(4-chlorobenzoyl)-1a-methyl-1,1a,2,6b-tetrahydrocyclopropa[b]indole-1-carboxylate
CAS Registry Number 33375-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18ClNO3
InChI InChI=1S/C20H18ClNO3/c1-3-25-19(24)17-16-14-6-4-5-7-15(14)22(20(16,17)2)18(23)12-8-10-13(21)11-9-12/h4-11,16-17H,3H2,1-2H3/t16-,17+,20-/m0/s1
InChIKey MKTBENAGPSLSDK-QKLQHJQFSA-N
Molecular Weight 355.821 g/mol
SMILES [C@@]12([C@@](C(=O)OCC)([C@@]2(c2ccccc2N1C(c1ccc(cc1)Cl)=O)[H])[H])C
SPLASH splash10-000i-0900000000-73f0cb36370316bdbd76
Source of Spectrum AH-108-130-0
Wiley ID 1345243