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(3S,4S,5S)-3-Methyl-5-nitro-4-phenylcyclohex-1-enyl-methanol
SpectraBase Compound ID JzO7RN1Is71
InChI InChI=1S/C14H17NO3/c1-10-7-11(9-16)8-13(15(17)18)14(10)12-5-3-2-4-6-12/h2-7,10,13-14,16H,8-9H2,1H3/t10-,13-,14-/m0/s1
InChIKey HXWYNKAJVPAHML-BPNCWPANSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7OyCZbAGVkE
Name (3S,4S,5S)-3-Methyl-5-nitro-4-phenylcyclohex-1-enyl-methanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.120843408 u
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-10-7-11(9-16)8-13(15(17)18)14(10)12-5-3-2-4-6-12/h2-7,10,13-14,16H,8-9H2,1H3/t10-,13-,14-/m0/s1
InChIKey HXWYNKAJVPAHML-BPNCWPANSA-N
Molecular Weight 247.294 g/mol
SMILES C1(=C[C@@]([C@]([C@](C1)([N+](=O)[O-])[H])(C=1C=CC=CC1)[H])(C)[H])CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895714