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1H-Indole-3-propanamide, 2-(1,1-dimethyl-2-propenyl)-2,3-dihydro-.alpha.-[(phenylmethoxy)imino]-, [2.alpha.,3.beta.(E)]-
SpectraBase Compound ID EqFU4ePaUPQ
InChI InChI=1S/C23H27N3O2/c1-4-23(2,3)21-18(17-12-8-9-13-19(17)25-21)14-20(22(24)27)26-28-15-16-10-6-5-7-11-16/h4-13,18,21,25H,1,14-15H2,2-3H3,(H2,24,27)/b26-20+/t18-,21-/m0/s1
InChIKey UACKFFQTHULXRY-QFIPCGKXSA-N
Mol Weight 377.49 g/mol
Molecular Formula C23H27N3O2
Exact Mass 377.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHieXdbPAX9
Name 1H-Indole-3-propanamide, 2-(1,1-dimethyl-2-propenyl)-2,3-dihydro-.alpha.-[(phenylmethoxy)imino]-, [2.alpha.,3.beta.(E)]-
Alternate Name(s) (2E)-2-[(benzyloxy)imino]-3-[(2S,3S)-2-(1,1-dimethyl-2-propenyl)-2,3-dihydro-1H-indol-3-yl]propanamide (E)-2,3-trans-.alpha.-(benzyloxyimino)-.beta.-[2-(.alpha.,.alpha.-dimethylallyl)indolin-3-yl]propanamide
CAS Registry Number 114519-45-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N3O2
InChI InChI=1S/C23H27N3O2/c1-4-23(2,3)21-18(17-12-8-9-13-19(17)25-21)14-20(22(24)27)26-28-15-16-10-6-5-7-11-16/h4-13,18,21,25H,1,14-15H2,2-3H3,(H2,24,27)/b26-20+/t18-,21-/m0/s1
InChIKey UACKFFQTHULXRY-QFIPCGKXSA-N
Molecular Weight 377.488 g/mol
SMILES N1c2c([C@](C\C(C(=O)N)=N\OCc3ccccc3)([C@]1(C(C=C)(C)C)[H])[H])cccc2
SPLASH splash10-001i-0900000000-46b0abee91466e9116cf
Source of Spectrum KC-1987-2478-24
Wiley ID 1358340