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Ambrox-2.alpha.-ol

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

Ambrox-2.alpha.-ol
SpectraBase Compound ID 3PM2lkLegUO
InChI InChI=1S/C16H28O2/c1-14(2)8-6-13(17)16(4)11(14)5-9-15(3)12(16)7-10-18-15/h11-13,17H,5-10H2,1-4H3
InChIKey NPRGVFUUBISNNK-UHFFFAOYSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 53HM8JNTNQk
Name Ambrox-2.alpha.-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.208930140 u
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-14(2)8-6-13(17)16(4)11(14)5-9-15(3)12(16)7-10-18-15/h11-13,17H,5-10H2,1-4H3
InChIKey NPRGVFUUBISNNK-UHFFFAOYSA-N
Molecular Weight 252.398 g/mol
SMILES C12(OCCC2C2(C(CC1)C(CCC2O)(C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958162