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Methylethyl (1S,2S)-(-)-3-(2-hydroxycycloheptyl)propionate
SpectraBase Compound ID HkUitnkJylt
InChI InChI=1S/C13H24O3/c1-10(2)16-13(15)9-8-11-6-4-3-5-7-12(11)14/h10-12,14H,3-9H2,1-2H3/t11-,12-/m0/s1
InChIKey JVRGAWWRDHIUQE-RYUDHWBXSA-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 Fzo0umk2oAz
Name Methylethyl (1S,2S)-(-)-3-(2-hydroxycycloheptyl)propionate
Alternate Name(s) isopropyl 3-[(1S,2S)-2-hydroxycycloheptyl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-10(2)16-13(15)9-8-11-6-4-3-5-7-12(11)14/h10-12,14H,3-9H2,1-2H3/t11-,12-/m0/s1
InChIKey JVRGAWWRDHIUQE-RYUDHWBXSA-N
Molecular Weight 228.332 g/mol
SMILES O[C@@]1([C@](CCC(=O)OC(C)C)(CCCCC1)[H])[H]
SPLASH splash10-001j-9100000000-4c76f885aac47780032d
Source of Spectrum QC-11-2612-8
Wiley ID 859940