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1H-Indole-1-carboxylic acid, 3-ethenyl-2,3-dihydro-6-(phenylmethoxy)-, 1,1-dimethylethyl ester, (.+-.)-
SpectraBase Compound ID 2kCS1a62L07
InChI InChI=1S/C22H25NO3/c1-5-17-14-23(21(24)26-22(2,3)4)20-13-18(11-12-19(17)20)25-15-16-9-7-6-8-10-16/h5-13,17H,1,14-15H2,2-4H3
InChIKey GIQTWBSQFPBKPO-UHFFFAOYSA-N
Mol Weight 351.45 g/mol
Molecular Formula C22H25NO3
Exact Mass 351.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Eh1NODiUeB
Name 1H-Indole-1-carboxylic acid, 3-ethenyl-2,3-dihydro-6-(phenylmethoxy)-, 1,1-dimethylethyl ester, (.+-.)-
Alternate Name(s) 6-(benzyloxy)-1-((tert-butyloxy)carbonyl)-3-vinylindoline tert-Butyl 6-(benzyloxy)-3-vinyl-1-indolinecarboxylate
CAS Registry Number 119879-96-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO3
InChI InChI=1S/C22H25NO3/c1-5-17-14-23(21(24)26-22(2,3)4)20-13-18(11-12-19(17)20)25-15-16-9-7-6-8-10-16/h5-13,17H,1,14-15H2,2-4H3
InChIKey GIQTWBSQFPBKPO-UHFFFAOYSA-N
Molecular Weight 351.446 g/mol
SMILES c12N(CC(c2ccc(c1)OCc1ccccc1)C=C)C(OC(C)(C)C)=O
SPLASH splash10-052f-9010000000-9cd12d33bef7f5677326
Source of Spectrum C-112-5237-16
Wiley ID 1342734