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XLR11 N-(4-pentenyl) analog
SpectraBase Compound ID GJ9wg63QFZ5
InChI InChI=1S/C21H27NO/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5/h6,8-9,11-12,14,19H,1,7,10,13H2,2-5H3
InChIKey NXTLUQFOTQPMOD-UHFFFAOYSA-N
Mol Weight 309.45 g/mol
Molecular Formula C21H27NO
Exact Mass 309.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ka8CUzwQEVl
Name XLR11 N-(4-pentenyl) analog
Alternate Name(s) (1-(pent-4-en-1-yl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO
InChI InChI=1S/C21H27NO/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5/h6,8-9,11-12,14,19H,1,7,10,13H2,2-5H3
InChIKey NXTLUQFOTQPMOD-UHFFFAOYSA-N
Molecular Weight 309.453 g/mol
SMILES c1[n](c2ccccc2c1C(=O)C1C(C1(C)C)(C)C)CCCC=C
SPLASH splash10-03di-2790000000-afe9f1617b9d0cd12bd6
Source of Spectrum SWG-33-3140-0
Wiley ID 1810059