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3-[(1S,2R)-2-FORMYL-2-METHYLCYCLOHEX-5-ENYL]-PROPIONIC_ACID
SpectraBase Compound ID 8DjDELlkJIk
InChI InChI=1S/C11H16O3/c1-11(8-12)7-3-2-4-9(11)5-6-10(13)14/h2,4,8-9H,3,5-7H2,1H3,(H,13,14)/t9-,11+/m1/s1
InChIKey WHPJLYGRUMWESW-KOLCDFICSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YomyASnSq
Name 3-[(1S,6R)-6-formyl-6-methyl-1-cyclohex-2-enyl]propanoic acid
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Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-11(8-12)7-3-2-4-9(11)5-6-10(13)14/h2,4,8-9H,3,5-7H2,1H3,(H,13,14)/t9-,11+/m1/s1
InChIKey WHPJLYGRUMWESW-KOLCDFICSA-N
Molecular Weight 196.246 g/mol
SMILES OC(CC[C@@]1([C@](C=O)(CCC=C1)C)[H])=O
SPLASH splash10-004i-0900000000-1b32fd1a6dc85b04b198
Source of Spectrum KC-0-3474-14
Synonyms 3-[(1S,6R)-6-formyl-6-methyl-cyclohex-2-en-1-yl]propanoic acid 3-[(1S,6R)-6-formyl-6-methyl-cyclohex-2-en-1-yl]propionic acid 3-[(1S,6R)-6-methanoyl-6-methyl-cyclohex-2-en-1-yl]propanoic acid
Wiley ID 826843