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N-Tert-butyl-[2.2]paracyclophane-4-ylcarbamate

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

N-Tert-butyl-[2.2]paracyclophane-4-ylcarbamate
SpectraBase Compound ID ERANmT4yArL
InChI InChI=1S/C21H25NO2/c1-21(2,3)24-20(23)22-19-14-17-9-8-15-4-6-16(7-5-15)10-12-18(19)13-11-17/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,22,23)
InChIKey RGXWBAJHSKZVJO-UHFFFAOYSA-N
Mol Weight 323.44 g/mol
Molecular Formula C21H25NO2
Exact Mass 323.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H2U3KGvZnzc
Name N-Tert-butyl-[2.2]paracyclophane-4-ylcarbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.188529047 u
Formula C21H25NO2
InChI InChI=1S/C21H25NO2/c1-21(2,3)24-20(23)22-19-14-17-9-8-15-4-6-16(7-5-15)10-12-18(19)13-11-17/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,22,23)
InChIKey RGXWBAJHSKZVJO-UHFFFAOYSA-N
Molecular Weight 323.436 g/mol
SMILES C=1C=2CCC3=CC=C(CCC(=CC2)C1NC(OC(C)(C)C)=O)C=C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828694