Debug Info

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_id
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3xh69yhZDpx
spectrumID
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3xh69yhZDpx
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Mass Spectrum (GC)
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(S)-1-(3-phenylpropyl)spiro[indoline-3,2'-pyran]-2,4'(3'H)-dione
SpectraBase Compound ID LCNMEoJgE67
InChI InChI=1S/C21H19NO3/c23-17-12-14-25-21(15-17)18-10-4-5-11-19(18)22(20(21)24)13-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-12,14H,6,9,13,15H2/t21-/m0/s1
InChIKey OFYPOTRQYPMRHG-NRFANRHFSA-N
Mol Weight 333.39 g/mol
Molecular Formula C21H19NO3
Exact Mass 333.136493 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xh69yhZDpx
Name (S)-1-(3-phenylpropyl)spiro[indoline-3,2'-pyran]-2,4'(3'H)-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO3
InChI InChI=1S/C21H19NO3/c23-17-12-14-25-21(15-17)18-10-4-5-11-19(18)22(20(21)24)13-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-12,14H,6,9,13,15H2/t21-/m0/s1
InChIKey OFYPOTRQYPMRHG-NRFANRHFSA-N
Literature Reference DOI 10.1002/adsc.201300583
Molecular Weight 333.387 g/mol
SMILES [C@@]12(C(N(c3ccccc23)CCCc2ccccc2)=O)CC(=O)C=CO1
SPLASH splash10-0a59-2901000000-850e69bde03cd9e5fccb
Source of Spectrum ASC-355-3344/SM58-3u
Wiley ID 1761824
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