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Dimethyl [(2-bromo-5-methyl-5,6,9,10-tetrahydro-6,9-methanocyclohepta[b]indol-10-yl)methyl]-malonate

View entire compound with spectra: 1 MS (GC)

Dimethyl [(2-bromo-5-methyl-5,6,9,10-tetrahydro-6,9-methanocyclohepta[b]indol-10-yl)methyl]-malonate
SpectraBase Compound ID I9cjmaO1VlY
InChI InChI=1S/C21H22BrNO4/c1-23-17-7-6-13(22)9-15(17)18-14(11-4-5-12(8-11)19(18)23)10-16(20(24)26-2)21(25)27-3/h4-7,9,11-12,14,16H,8,10H2,1-3H3/t11-,12+,14-/m1/s1
InChIKey MPSOAHMYVHORSP-MBNYWOFBSA-N
Mol Weight 432.31 g/mol
Molecular Formula C21H22BrNO4
Exact Mass 431.073221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ntlinR1o9z
Name Dimethyl [(2-bromo-5-methyl-5,6,9,10-tetrahydro-6,9-methanocyclohepta[b]indol-10-yl)methyl]-malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22BrNO4
InChI InChI=1S/C21H22BrNO4/c1-23-17-7-6-13(22)9-15(17)18-14(11-4-5-12(8-11)19(18)23)10-16(20(24)26-2)21(25)27-3/h4-7,9,11-12,14,16H,8,10H2,1-3H3/t11-,12+,14-/m1/s1
InChIKey MPSOAHMYVHORSP-MBNYWOFBSA-N
Literature Reference DOI 10.1002/adsc.201000783
Molecular Weight 432.314 g/mol
SMILES C1=C[C@]2(C[C@@]1([C@](c1c2[n](c2c1cc(cc2)Br)C)(CC(C(OC)=O)C(OC)=O)[H])[H])[H]
SPLASH splash10-052r-0091100000-952746c0bf1274d0ac03
Source of Spectrum ASC-353-1125/SM17-3j
Synonyms Dimethyl 2-(((6R,9S,10R)-2-bromo-5-methyl-5,6,9,10-tetrahydro-6,9-methanocyclohepta[b]indol-10-yl)methyl)malonate
Wiley ID 1764840