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Tert-butyl (+)-(3S,5R)-3,5-dihydroxyheptanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Tert-butyl (+)-(3S,5R)-3,5-dihydroxyheptanoate
SpectraBase Compound ID Fmts6jMORoi
InChI InChI=1S/C11H22O4/c1-5-8(12)6-9(13)7-10(14)15-11(2,3)4/h8-9,12-13H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKey CQLYKHFDMRALRK-BDAKNGLRSA-N
Mol Weight 218.29 g/mol
Molecular Formula C11H22O4
Exact Mass 218.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IxCGQEyC0Qa
Name Tert-butyl (+)-(3S,5R)-3,5-dihydroxyheptanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.151809184 u
Formula C11H22O4
InChI InChI=1S/C11H22O4/c1-5-8(12)6-9(13)7-10(14)15-11(2,3)4/h8-9,12-13H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKey CQLYKHFDMRALRK-BDAKNGLRSA-N
Molecular Weight 218.293 g/mol
SMILES C(C)[C@](C[C@](O)(CC(OC(C)(C)C)=O)[H])(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873356