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1-Acetyl-2-amino-1-aza[4.4]methcyclophane
SpectraBase Compound ID KtLoKekq98Q
InChI InChI=1S/C21H26N2O/c1-16(24)23-20-11-5-10-18(15-20)7-3-2-6-17-8-4-9-19(14-17)12-13-21(23)22/h4-5,8-11,14-15,21H,2-3,6-7,12-13,22H2,1H3
InChIKey VECBGGLSKKTHFL-UHFFFAOYSA-N
Mol Weight 322.45 g/mol
Molecular Formula C21H26N2O
Exact Mass 322.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LISoTiKl461
Name 1-Acetyl-2-amino-1-aza[4.4]methcyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O
InChI InChI=1S/C21H26N2O/c1-16(24)23-20-11-5-10-18(15-20)7-3-2-6-17-8-4-9-19(14-17)12-13-21(23)22/h4-5,8-11,14-15,21H,2-3,6-7,12-13,22H2,1H3
InChIKey VECBGGLSKKTHFL-UHFFFAOYSA-N
Molecular Weight 322.452 g/mol
SMILES NC1N(c2cc(CCCCc3cc(CC1)ccc3)ccc2)C(=O)C
SPLASH splash10-05fr-0009000000-d2559027dd182183c2c6
Source of Spectrum K-127-1675-0
Synonyms 2-Acetyl-2-azatricyclo[13.3.1.1(6,10)]icosa-1(19),6(20),7,9,15,17-hexaen-3-amine 2-Acetyl-2-azatricyclo[13.3.1.1(6,10)]icosa-1(19),6(20),7,9,15,17-hexaen-3-ylamine
Wiley ID 1322105