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O-Acetyl-N-propylcaryachine

View entire compound with spectra: 1 MS (GC)

O-Acetyl-N-propylcaryachine
SpectraBase Compound ID GU4vW5q7obj
InChI InChI=1S/C21H21NO5/c1-11(23)27-21-7-13-5-17-15-9-20-19(25-10-26-20)6-12(15)4-16(22(17)2)14(13)8-18(21)24-3/h6-9,16-17H,4-5,10H2,1-3H3/t16-,17-/m1/s1
InChIKey BRYWXNQXMLXTOV-IAGOWNOFSA-N
Mol Weight 367.4 g/mol
Molecular Formula C21H21NO5
Exact Mass 367.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjIehrt7j27
Name O-Acetyl-N-propylcaryachine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO5
InChI InChI=1S/C21H21NO5/c1-11(23)27-21-7-13-5-17-15-9-20-19(25-10-26-20)6-12(15)4-16(22(17)2)14(13)8-18(21)24-3/h6-9,16-17H,4-5,10H2,1-3H3/t16-,17-/m1/s1
InChIKey BRYWXNQXMLXTOV-IAGOWNOFSA-N
Molecular Weight 367.401 g/mol
SMILES [C@]12(N([C@](Cc3cc4OCOc4cc23)(c2c(cc(c(c2)OC)OC(=O)C)C1)[H])C)[H]
SPLASH splash10-004r-0809000000-bb1529692c8f4044a190
Source of Spectrum H1-43-1412-1
Synonyms O-Acetyl-N-methylcaryachine
Wiley ID 757918