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(1S,2S,3R)-1,2-Epoxy-1,3-diphenylbutane

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(1S,2S,3R)-1,2-Epoxy-1,3-diphenylbutane
SpectraBase Compound ID 40fyGrCadRx
InChI InChI=1S/C16H16O/c1-12(13-8-4-2-5-9-13)15-16(17-15)14-10-6-3-7-11-14/h2-12,15-16H,1H3/t12-,15+,16+/m1/s1
InChIKey XMUYTFGJKRWTEV-KCXAZCMYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C16H16O
Exact Mass 224.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Av8g5cVGd3F
Name (1S,2S,3R)-1,2-Epoxy-1,3-diphenylbutane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.120115134 u
Formula C16H16O
InChI InChI=1S/C16H16O/c1-12(13-8-4-2-5-9-13)15-16(17-15)14-10-6-3-7-11-14/h2-12,15-16H,1H3/t12-,15+,16+/m1/s1
InChIKey XMUYTFGJKRWTEV-KCXAZCMYSA-N
Molecular Weight 224.303 g/mol
SMILES [C@@]1(O[C@]1(C=1C=CC=CC1)[H])([C@@](C=1C=CC=CC1)(C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952594