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Benzyl 5-chloro-3-(hydroxymethyl)-3-methylindoline-1-carboxylate
SpectraBase Compound ID 5XxuzKyuAJV
InChI InChI=1S/C18H18ClNO3/c1-18(12-21)11-20(16-8-7-14(19)9-15(16)18)17(22)23-10-13-5-3-2-4-6-13/h2-9,21H,10-12H2,1H3
InChIKey CUDXSCKMXAMYQX-UHFFFAOYSA-N
Mol Weight 331.8 g/mol
Molecular Formula C18H18ClNO3
Exact Mass 331.097521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KXmoS3pGRv
Name Benzyl 5-chloro-3-(hydroxymethyl)-3-methylindoline-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClNO3
InChI InChI=1S/C18H18ClNO3/c1-18(12-21)11-20(16-8-7-14(19)9-15(16)18)17(22)23-10-13-5-3-2-4-6-13/h2-9,21H,10-12H2,1H3
InChIKey CUDXSCKMXAMYQX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol801860s
Molecular Weight 331.799 g/mol
SMILES OCC1(C)CN(C(=O)OCc2ccccc2)c2ccc(Cl)cc12
SPLASH splash10-000x-9015000000-6f601a536be14e786ca5
Source of Spectrum A1-10-4383/SMS28-22
Wiley ID 1756304