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2-(Acetoxy)methyl]-anisotomenol

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

2-(Acetoxy)methyl]-anisotomenol
SpectraBase Compound ID ItJFchHg8IG
InChI InChI=1S/C22H36O2/c1-16(2)10-8-13-21(6)19(15-24-17(3)23)14-18-11-9-12-20(4,5)22(18,21)7/h10-11,19H,8-9,12-15H2,1-7H3/t19-,21-,22-/m1/s1
InChIKey CYIWVXUXNCSJQR-CEMLEFRQSA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HiMKHN7RYr6
Name 2-(Acetoxy)methyl]-anisotomenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.271530397 u
Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-16(2)10-8-13-21(6)19(15-24-17(3)23)14-18-11-9-12-20(4,5)22(18,21)7/h10-11,19H,8-9,12-15H2,1-7H3/t19-,21-,22-/m1/s1
InChIKey CYIWVXUXNCSJQR-CEMLEFRQSA-N
Molecular Weight 332.528 g/mol
SMILES CC1(C)CCC=C2[C@@]1(C)[C@@](CCC=C(C)C)(C)[C@@](COC(C)=O)(C2)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909876