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Methyl (1R,2R,3R)-3-Hydroxy-2-pentylcyclopentaneacetate
SpectraBase Compound ID 8xMQeYQAqwU
InChI InChI=1S/C13H24O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-12,14H,3-9H2,1-2H3/t10-,11-,12-/m1/s1
InChIKey DZWZEZICFCEJOT-IJLUTSLNSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JHXILgzFlM
Name Methyl (1R,2R,3R)-3-Hydroxy-2-pentylcyclopentaneacetate
Alternate Name(s) Methyl 2-((1R,2R,3R)-3-hydroxy-2-pentylcyclopentyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-12,14H,3-9H2,1-2H3/t10-,11-,12-/m1/s1
InChIKey DZWZEZICFCEJOT-IJLUTSLNSA-N
Literature Reference DOI 10.1002/hlca.201200440
Molecular Weight 228.332 g/mol
SMILES O[C@]1([C@](CCCCC)([C@](CC1)(CC(OC)=O)[H])[H])[H]
SPLASH splash10-00s9-9500000000-aa57fbd071491e4cf3f4
Source of Spectrum H-96-255-(1R,2R,3S)_Vc
Wiley ID 1784657