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3,7-Diiodo-5-(N-methylcarbamoyl)tricyclo[3.3.0.0(3,7)]octane-1-carboxylic acid
SpectraBase Compound ID 57gjrKYHjvB
InChI InChI=1S/C11H13I2NO3/c1-14-6(15)8-2-10(12)4-9(8,7(16)17)5-11(10,13)3-8/h2-5H2,1H3,(H,14,15)(H,16,17)/t8-,9+,10?,11?
InChIKey MXQXZBSISQBIPS-IXBNRNDTSA-N
Mol Weight 461.04 g/mol
Molecular Formula C11H13I2NO3
Exact Mass 460.898483 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvivUzzATx4
Name 3,7-Diiodo-5-(N-methylcarbamoyl)tricyclo[3.3.0.0(3,7)]octane-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13I2NO3
InChI InChI=1S/C11H13I2NO3/c1-14-6(15)8-2-10(12)4-9(8,7(16)17)5-11(10,13)3-8/h2-5H2,1H3,(H,14,15)(H,16,17)/t8-,9+,10?,11?
InChIKey MXQXZBSISQBIPS-IXBNRNDTSA-N
Molecular Weight 461.038 g/mol
SMILES N(C([C@]12CC3(C[C@]2(C(=O)O)CC3(C1)I)I)=O)C
SPLASH splash10-0uyl-1941000000-c88171a0f20153561b99
Source of Spectrum F-62-7649-10
Synonyms 3,7-Diiodo-5-[(methylamino)carbonyl]tricyclo[3.3.0.0(3,7)]octane-1-carboxylic acid
Wiley ID 1640246