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XUHHEWIHDZYFKN-NHUSPQTBSA-N
SpectraBase Compound ID 6clbNJvSuQY
InChI InChI=1S/C21H30N2O3/c1-2-15-14-23-9-8-20-17-5-3-4-6-18(17)22-21(20,26-12-11-25-20)19(23)13-16(15)7-10-24/h3-6,15-16,19,22,24H,2,7-14H2,1H3/t15-,16-,19-,20-,21-/m0/s1
InChIKey XUHHEWIHDZYFKN-NHUSPQTBSA-N
Mol Weight 358.48 g/mol
Molecular Formula C21H30N2O3
Exact Mass 358.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vVFHGTySG
Name 2-[(1S,2S,4R,5R,10S)-5-ethyl-18,21-dioxa-7,17-diazapentacyclo[8.7.4.0(1,10).0(2,7).0(11,16)]henicosa-11(16),12,14-trien-4-yl]ethan-1-ol
Appearance Colorless prisms
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2O3
InChI InChI=1S/C21H30N2O3/c1-2-15-14-23-9-8-20-17-5-3-4-6-18(17)22-21(20,26-12-11-25-20)19(23)13-16(15)7-10-24/h3-6,15-16,19,22,24H,2,7-14H2,1H3/t15-,16-,19-,20-,21-/m0/s1
InChIKey XUHHEWIHDZYFKN-NHUSPQTBSA-N
Instrument Name JEOL JMS GC-mate
Ionization Type EI
Optical Rotation [a]D25 = -72 (c 1.1, CHCl3)
SMILES OCC[C@@]1([C@](CN2[C@]([C@@]34[C@](CC2)(c2c(N4)cccc2)OCCO3)(C1)[H])(CC)[H])[H]
SPLASH splash10-0aor-0907000000-e9756f491563e9e3ba66
Source of Spectrum US8247428B2
Wiley ID 1845320