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(R)-Octan-2-yl (S)-octan-2-yl carbanate

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

(R)-Octan-2-yl (S)-octan-2-yl carbanate
SpectraBase Compound ID BDOSwjMM6KD
InChI InChI=1S/C17H34O3/c1-5-7-9-11-13-15(3)19-17(18)20-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3/t15-,16+
InChIKey OMQVGRYHAKOESX-IYBDPMFKSA-N
Mol Weight 286.5 g/mol
Molecular Formula C17H34O3
Exact Mass 286.250795 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7XKrgmuEhmQ
Name (R)-Octan-2-yl (S)-octan-2-yl carbanate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.250794952 u
Formula C17H34O3
InChI InChI=1S/C17H34O3/c1-5-7-9-11-13-15(3)19-17(18)20-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3/t15-,16+
InChIKey OMQVGRYHAKOESX-IYBDPMFKSA-N
Molecular Weight 286.456 g/mol
SMILES C(=O)(O[C@@](CCCCCC)(C)[H])O[C@](CCCCCC)(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954104