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(1R,2R,3aR,7aS)-7a-cyano-1-ethenyl-1,2,3,3a,4,5,6,7-octahydroindene-2-carboxylic acid
SpectraBase Compound ID B54r8z5v2jv
InChI InChI=1S/C13H17NO2/c1-2-11-10(12(15)16)7-9-5-3-4-6-13(9,11)8-14/h2,9-11H,1,3-7H2,(H,15,16)/t9-,10-,11-,13+/m1/s1
InChIKey UMYKGGHQBNFFQG-UZWSLXQKSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PQPBbaBmCp
Name (1R,2R,3aR,7aS)-7a-cyano-1-ethenyl-1,2,3,3a,4,5,6,7-octahydroindene-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-2-11-10(12(15)16)7-9-5-3-4-6-13(9,11)8-14/h2,9-11H,1,3-7H2,(H,15,16)/t9-,10-,11-,13+/m1/s1
InChIKey UMYKGGHQBNFFQG-UZWSLXQKSA-N
Molecular Weight 219.284 g/mol
SMILES OC([C@]1([C@]([C@]2([C@@](C1)(CCCC2)[H])C#N)(C=C)[H])[H])=O
SPLASH splash10-006t-9500000000-f689aa7023eafa6c9458
Source of Spectrum J-61-3877-12
Synonyms (1R,2R,3aR,7aS)-7a-cyano-1-vinyl-1,2,3,3a,4,5,6,7-octahydroindene-2-carboxylic acid
Wiley ID 1218955