SpectraBase Spectrum ID |
BFiktHVRbsn |
Name |
Cyclopropanecarboxamide, N-[2,3-dihydro-7-(1-hydroxyethyl)-1,4-benzodioxin-6-yl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
263.115758027 u |
Formula |
C14H17NO4 |
InChI |
InChI=1S/C14H17NO4/c1-8(16)10-6-12-13(19-5-4-18-12)7-11(10)15-14(17)9-2-3-9/h6-9,16H,2-5H2,1H3,(H,15,17) |
InChIKey |
SIACKDYXYRIXIS-UHFFFAOYSA-N |
Molecular Weight |
263.293 g/mol |
SMILES |
C1(=C(C=C2C(=C1)OCCO2)C(C)O)NC(C1CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971793 |