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Methyl N-[2-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-yl]carbamate

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

Methyl N-[2-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-yl]carbamate
SpectraBase Compound ID 5ucpN03eiHc
InChI InChI=1S/C15H17NO4/c1-18-15(17)16-12-5-3-2-4-11(12)10-6-7-13-14(8-10)20-9-19-13/h4,6-8,12H,2-3,5,9H2,1H3,(H,16,17)
InChIKey MLYHPDJJAUCSFH-UHFFFAOYSA-N
Mol Weight 275.3 g/mol
Molecular Formula C15H17NO4
Exact Mass 275.115758 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DJK2JmJ3jWC
Name Methyl N-[2-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-yl]carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.115758027 u
Formula C15H17NO4
InChI InChI=1S/C15H17NO4/c1-18-15(17)16-12-5-3-2-4-11(12)10-6-7-13-14(8-10)20-9-19-13/h4,6-8,12H,2-3,5,9H2,1H3,(H,16,17)
InChIKey MLYHPDJJAUCSFH-UHFFFAOYSA-N
SMILES C=1(C=2C=C3OCOC3=CC2)C(NC(=O)OC)CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935483