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1,1-Dimethyl-2.beta.-hydroxy-9b.alpha.-methoxy-1,2,3,9b-tetrahydro-5H-pyrrolo[2,1-a]isoindol-5-one
SpectraBase Compound ID HPtqntWiRLU
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
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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