SpectraBase Spectrum ID |
3riM0v0hWmB |
Name |
1,1-Dimethyl-2.beta.-hydroxy-9B.alpha.-methoxy-1,2,3,9B-tetrahydro-5H-pyrrolo[2,1-A]isoindol-5-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.120843408 u |
Formula |
C14H17NO3 |
InChI |
InChI=1S/C14H17NO3/c1-13(2)11(16)8-15-12(17)9-6-4-5-7-10(9)14(13,15)18-3/h4-7,11,16H,8H2,1-3H3/t11-,14+/m0/s1 |
InChIKey |
CHPQMDAZSUKGEE-SMDDNHRTSA-N |
Molecular Weight |
247.294 g/mol |
SMILES |
[C@]12(N(C(=O)C3=C2C=CC=C3)C[C@@](C1(C)C)(O)[H])OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896993 |