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(1S,2R,4R)-2-bromanyl-1-methyl-4-[3-[(1R,2R,3S,6S)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]prop-1-en-2-yl]cyclohexan-1-ol

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

(1S,2R,4R)-2-bromanyl-1-methyl-4-[3-[(1R,2R,3S,6S)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]prop-1-en-2-yl]cyclohexan-1-ol
SpectraBase Compound ID F2PA3ggE8pU
InChI InChI=1S/C20H31BrO2/c1-12(2)15-7-9-20(5)18(23-20)16(15)10-13(3)14-6-8-19(4,22)17(21)11-14/h14-18,22H,1,3,6-11H2,2,4-5H3/t14-,15-,16-,17-,18-,19+,20+/m1/s1
InChIKey HWVDMZATQYSFPS-ZSXPZZPQSA-N
Mol Weight 383.37 g/mol
Molecular Formula C20H31BrO2
Exact Mass 382.150743 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID g8FR6A9maB
Name (1S,2R,4R)-2-Bromanyl-1-methyl-4-[3-[(1R,2R,3S,6S)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]prop-1-en-2-yl]cyclohexan-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.150743236 u
Formula C20H31BrO2
InChI InChI=1S/C20H31BrO2/c1-12(2)15-7-9-20(5)18(23-20)16(15)10-13(3)14-6-8-19(4,22)17(21)11-14/h14-18,22H,1,3,6-11H2,2,4-5H3/t14-,15-,16-,17-,18-,19+,20+/m1/s1
InChIKey HWVDMZATQYSFPS-ZSXPZZPQSA-N
Molecular Weight 383.370 g/mol
SMILES [C@@]12(O[C@]1(CC[C@@]([C@]2(CC([C@]1(C[C@@](Br)([C@](CC1)(O)C)[H])[H])=C)[H])(C(=C)C)[H])C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860755