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cis-endo-3-(2-Isopropoxycarbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 7p1ENByYSB2
InChI InChI=1S/C12H18O4/c1-6(2)16-12(15)10-8-4-3-7(5-8)9(10)11(13)14/h6-10H,3-5H2,1-2H3,(H,13,14)/t7-,8+,9-,10+/m1/s1
InChIKey WCYMRBKMUSKKGS-RGOKHQFPSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pjyZ8ZF1JB
Name cis-endo-3-(2-Isopropoxycarbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-6(2)16-12(15)10-8-4-3-7(5-8)9(10)11(13)14/h6-10H,3-5H2,1-2H3,(H,13,14)/t7-,8+,9-,10+/m1/s1
InChIKey WCYMRBKMUSKKGS-RGOKHQFPSA-N
Molecular Weight 226.272 g/mol
SMILES OC([C@]1([C@@](C(OC(C)C)=O)([C@@]2(C[C@]1(CC2)[H])[H])[H])[H])=O
SPLASH splash10-014i-1900000000-16f9d68e0451d7a1da91
Source of Spectrum J-63-1195-0
Synonyms (2R,3S)-3-(isopropoxycarbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
Wiley ID 1227373