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N-(Phenylbutyl)-4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]-dodecan-3-ol
SpectraBase Compound ID FAoiJS1ejVG
InChI InChI=1S/C21H25NO/c23-21-18-13-10-12-14-15(13)19(21)17(14)20(16(12)18)22(21)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12-20,23H,4-5,8-10H2/t12-,13+,14-,15+,16+,17-,18-,19+,20-,21-/m0/s1
InChIKey DHQYUPWRESNGBC-PXOIWFENSA-N
Mol Weight 307.44 g/mol
Molecular Formula C21H25NO
Exact Mass 307.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RBI9Z4fMeN
Name N-(Phenylbutyl)-4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]-dodecan-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO
InChI InChI=1S/C21H25NO/c23-21-18-13-10-12-14-15(13)19(21)17(14)20(16(12)18)22(21)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12-20,23H,4-5,8-10H2/t12-,13+,14-,15+,16+,17-,18-,19+,20-,21-/m0/s1
InChIKey DHQYUPWRESNGBC-PXOIWFENSA-N
Molecular Weight 307.437 g/mol
SMILES O[C@@]12N([C@@]3([C@@]4([C@]2([C@]2([C@@]4([C@]4([C@@]3([C@@]1([C@@]2(C4)[H])[H])[H])[H])[H])[H])[H])[H])[H])CCCCc1ccccc1
SPLASH splash10-0020-0900000000-7f6c13f592710d56d695
Source of Spectrum B-54-35-8
Synonyms N-(Phenylbutyl)-4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]-dodecan-3-ol
Wiley ID 811117