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3-Benzyl-3-aza-1-chloro-7-(chloromethyl)-6,6-dimethyl-2-oxobicyclo[3.3.0]octane
SpectraBase Compound ID DckNAxVKObk
InChI InChI=1S/C17H21Cl2NO/c1-16(2)13(9-18)8-17(19)14(16)11-20(15(17)21)10-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3/t13-,14+,17+/m0/s1
InChIKey XVGCTLQWWCUUOJ-JJRVBVJISA-N
Mol Weight 326.27 g/mol
Molecular Formula C17H21Cl2NO
Exact Mass 325.10002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OLtpCbppl2
Name 3-Benzyl-3-aza-1-chloro-7-(chloromethyl)-6,6-dimethyl-2-oxobicyclo[3.3.0]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21Cl2NO
InChI InChI=1S/C17H21Cl2NO/c1-16(2)13(9-18)8-17(19)14(16)11-20(15(17)21)10-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3/t13-,14+,17+/m0/s1
InChIKey XVGCTLQWWCUUOJ-JJRVBVJISA-N
Molecular Weight 326.267 g/mol
SMILES [C@@]12([C@@](C(C)(C)[C@@](C2)(CCl)[H])(CN(C1=O)Cc1ccccc1)[H])Cl
SPLASH splash10-0006-9430000000-a7c201557f09ff18c6e3
Source of Spectrum SK-29-3747-0
Synonyms (3aS,5R,6aR)-2-Benzyl-6a-chloro-5-chloromethyl-4,4-dimethyl-hexahydro-cyclopenta[c]pyrrol-1-one
Wiley ID 880802