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Trans-(+-)-2-[2-(tert-butoxycarbonyl)-3-phenylcyclopropyl]acetic acid

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

Trans-(+-)-2-[2-(tert-butoxycarbonyl)-3-phenylcyclopropyl]acetic acid
SpectraBase Compound ID In6Yl0IgRjd
InChI InChI=1S/C16H20O4/c1-16(2,3)20-15(19)14-11(9-12(17)18)13(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3,(H,17,18)/t11-,13?,14+/m1/s1
InChIKey ZKIGYPCXSXAOQB-VFXSIBAZSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FFZB0bB6ECW
Name Trans-(+-)-2-[2-(tert-butoxycarbonyl)-3-phenylcyclopropyl]acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.136159120 u
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-16(2,3)20-15(19)14-11(9-12(17)18)13(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3,(H,17,18)/t11-,13?,14+/m1/s1
InChIKey ZKIGYPCXSXAOQB-VFXSIBAZSA-N
SMILES [C@]1([C@](CC(=O)O)(C1C=1C=CC=CC1)[H])(C(OC(C)(C)C)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98545