SpectraBase Spectrum ID |
BC92Y2iEcz2 |
Name |
1'-Acetyl-7-hydroxy-3H-spiro[1-benzopyran-2,4'-piperidine]-4-one |
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/c1-10(17)16-6-4-15(5-7-16)9-13(19)12-3-2-11(18)8-14(12)20-15/h2-3,8,18H,4-7,9H2,1H3 |
InChIKey |
NYDZDLACUVHREM-UHFFFAOYSA-N |
SMILES |
C1=CC(=CC2=C1C(CC1(O2)CCN(C(C)=O)CC1)=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83355 |