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1H-Indole-3-methanol, 1-(phenylsulfonyl)-.alpha.-1-propenyl-, (E)-(.+-.)-
SpectraBase Compound ID MRogA6FCM5
InChI InChI=1S/C18H17NO3S/c1-2-8-18(20)16-13-19(17-12-7-6-11-15(16)17)23(21,22)14-9-4-3-5-10-14/h2-13,18,20H,1H3/b8-2+
InChIKey FBSPGBVTMUNSST-KRXBUXKQSA-N
Mol Weight 327.4 g/mol
Molecular Formula C18H17NO3S
Exact Mass 327.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aa8dZubkLij
Name 1H-Indole-3-methanol, 1-(phenylsulfonyl)-.alpha.-1-propenyl-, (E)-(.+-.)-
Alternate Name(s) (2E)-1-[1-(phenylsulfonyl)-1H-indol-3-yl]-2-buten-1-ol N-phenylfulfonyl-3-(1-hydroxy-2-butenyl)-indole
CAS Registry Number 114906-91-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO3S
InChI InChI=1S/C18H17NO3S/c1-2-8-18(20)16-13-19(17-12-7-6-11-15(16)17)23(21,22)14-9-4-3-5-10-14/h2-13,18,20H,1H3/b8-2+
InChIKey FBSPGBVTMUNSST-KRXBUXKQSA-N
Molecular Weight 327.398 g/mol
SMILES OC(c1c[n](S(=O)(=O)c2ccccc2)c2c1cccc2)\C=C\C
SPLASH splash10-014i-1902000000-c5ffce4a3fcb19aeec61
Source of Spectrum J-53-3174-11
Wiley ID 1325497