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(+-)-cis-3-Hydroxymethyl-2,2-dimethyl-1-cyclobutaneacetic acid
SpectraBase Compound ID L5EWj94qohS
InChI InChI=1S/C9H16O3/c1-9(2)6(4-8(11)12)3-7(9)5-10/h6-7,10H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m0/s1
InChIKey CZBKOTZGMYAONL-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 1EblvrzcBs
Name (+-)-cis-3-Hydroxymethyl-2,2-dimethyl-1-cyclobutaneacetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-9(2)6(4-8(11)12)3-7(9)5-10/h6-7,10H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m0/s1
InChIKey CZBKOTZGMYAONL-NKWVEPMBSA-N
Molecular Weight 172.224 g/mol
SMILES OC[C@@]1(C([C@](CC(=O)O)(C1)[H])(C)C)[H]
SPLASH splash10-067l-9100000000-d870079cca9e347827d0
Source of Spectrum F-48-1939-27
Synonyms [(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]acetic acid 2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]acetic acid 2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-cyclobutyl]acetic acid 2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-cyclobutyl]ethanoic acid
Wiley ID 1168823