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(2R)-1,2-o-Isopropylidene-4-oxa-6-heptene

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

(2R)-1,2-o-Isopropylidene-4-oxa-6-heptene
SpectraBase Compound ID ItXHb4sTPVu
InChI InChI=1S/C9H16O3/c1-4-5-10-6-8-7-11-9(2,3)12-8/h4,8H,1,5-7H2,2-3H3/t8-/m1/s1
InChIKey KDHJNSAZMYPQKD-MRVPVSSYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 71KUpVRubUi
Name (2R)-1,2-o-Isopropylidene-4-oxa-6-heptene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 172.109944372 u
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-4-5-10-6-8-7-11-9(2,3)12-8/h4,8H,1,5-7H2,2-3H3/t8-/m1/s1
InChIKey KDHJNSAZMYPQKD-MRVPVSSYSA-N
Molecular Weight 172.224 g/mol
SMILES C1(O[C@](COCC=C)(CO1)[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983155