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rel-(1'R,3'R)-(E)-1-(3'-Hydroxy-1'-methylbutoxy)-1-heptene

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

rel-(1'R,3'R)-(E)-1-(3'-Hydroxy-1'-methylbutoxy)-1-heptene
SpectraBase Compound ID ALLibpyVmLv
InChI InChI=1S/C12H24O2/c1-4-5-6-7-8-9-14-12(3)10-11(2)13/h8-9,11-13H,4-7,10H2,1-3H3/b9-8+/t11-,12-/m1/s1
InChIKey NTAYVGAFSSZHHT-SVKHLYGUSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IghoJUDD3oy
Name rel-(1'R,3'R)-(E)-1-(3'-Hydroxy-1'-methylbutoxy)-1-heptene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.177630011 u
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-4-5-6-7-8-9-14-12(3)10-11(2)13/h8-9,11-13H,4-7,10H2,1-3H3/b9-8+/t11-,12-/m1/s1
InChIKey NTAYVGAFSSZHHT-SVKHLYGUSA-N
Molecular Weight 200.322 g/mol
SMILES C(\C=C\O[C@@](C[C@](O)(C)[H])(C)[H])CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980561