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[(1R,2S)-2-(hydroxymethyl)cyclopropyl]methyl butanoate
SpectraBase Compound ID 2kB7qouh2RY
InChI InChI=1S/C9H16O3/c1-2-3-9(11)12-6-8-4-7(8)5-10/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKey DAVYTEHNXITLJQ-SFYZADRCSA-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 Kzu26xsTWiG
Name [(1R,2S)-2-(hydroxymethyl)cyclopropyl]methyl butanoate
CAS Registry Number 133494-56-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-2-3-9(11)12-6-8-4-7(8)5-10/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKey DAVYTEHNXITLJQ-SFYZADRCSA-N
Molecular Weight 172.224 g/mol
SMILES OC[C@@]1([C@@](C1)(COC(=O)CCC)[H])[H]
SPLASH splash10-00di-9200000000-345b44c6d041db48f3cd
Source of Spectrum F-47-1223-1
Synonyms Butanoic acid [(1R,2S)-2-(hydroxymethyl)cyclopropyl]methyl ester
Wiley ID 1168755