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3-[(1S,3R)-2,2-dimethyl-3-oxidanyl-cyclobutyl]propanoic acid
SpectraBase Compound ID KPIpsSQTBZN
InChI InChI=1S/C9H16O3/c1-9(2)6(5-7(9)10)3-4-8(11)12/h6-7,10H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m0/s1
InChIKey YLBIOCLPSSFVJY-NKWVEPMBSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yPdKfemhA4
Name 3-[(1S,3R)-2,2-dimethyl-3-oxidanyl-cyclobutyl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-9(2)6(5-7(9)10)3-4-8(11)12/h6-7,10H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m0/s1
InChIKey YLBIOCLPSSFVJY-NKWVEPMBSA-N
Molecular Weight 172.224 g/mol
SMILES OC(CC[C@@]1(C([C@@](C1)(O)[H])(C)C)[H])=O
SPLASH splash10-06fu-9100000000-0612b697679758965e73
Source of Spectrum F-48-1936-12
Synonyms 3-[(1S,3R)-3-hydroxy-2,2-dimethyl-cyclobutyl]propanoic acid 3-[(1S,3R)-3-hydroxy-2,2-dimethyl-cyclobutyl]propionic acid
Wiley ID 1168824