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7-[6-t-butoxycarbonylaminohexamido]-4-chloro-3-methoxyisocoumarin
SpectraBase Compound ID FrG22krUUUI
InChI InChI=1S/C21H27ClN2O6/c1-21(2,3)30-20(27)23-11-7-5-6-8-16(25)24-13-9-10-14-15(12-13)18(26)29-19(28-4)17(14)22/h9-10,12H,5-8,11H2,1-4H3,(H,23,27)(H,24,25)
InChIKey XAAWMEKJKBVQMD-UHFFFAOYSA-N
Mol Weight 438.91 g/mol
Molecular Formula C21H27ClN2O6
Exact Mass 438.155764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HN0P0LcVedS
Name 7-[6-t-butoxycarbonylaminohexamido]-4-chloro-3-methoxyisocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27ClN2O6
InChI InChI=1S/C21H27ClN2O6/c1-21(2,3)30-20(27)23-11-7-5-6-8-16(25)24-13-9-10-14-15(12-13)18(26)29-19(28-4)17(14)22/h9-10,12H,5-8,11H2,1-4H3,(H,23,27)(H,24,25)
InChIKey XAAWMEKJKBVQMD-UHFFFAOYSA-N
Molecular Weight 438.908 g/mol
SMILES N(C(CCCCCNC(OC(C)(C)C)=O)=O)c1ccc2C(=C(OC(=O)c2c1)OC)Cl
SPLASH splash10-0059-6797200000-e2624640af1b0d1b3951
Source of Spectrum GT-1992-99-0
Wiley ID 1384057