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Neocaryachine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Neocaryachine
SpectraBase Compound ID 5MIneIqsp1e
InChI InChI=1S/C19H19NO4/c1-20-13-5-10-3-4-15(22-2)19(21)18(10)14(20)6-11-7-16-17(8-12(11)13)24-9-23-16/h3-4,7-8,13-14,21H,5-6,9H2,1-2H3/t13-,14-/m0/s1
InChIKey TWCBVLWZBWYIRW-KBPBESRZSA-N
Mol Weight 325.36 g/mol
Molecular Formula C19H19NO4
Exact Mass 325.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9ZOo2c6Nls
Name Neocaryachine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO4
InChI InChI=1S/C19H19NO4/c1-20-13-5-10-3-4-15(22-2)19(21)18(10)14(20)6-11-7-16-17(8-12(11)13)24-9-23-16/h3-4,7-8,13-14,21H,5-6,9H2,1-2H3/t13-,14-/m0/s1
InChIKey TWCBVLWZBWYIRW-KBPBESRZSA-N
Molecular Weight 325.364 g/mol
SMILES Oc1c2[C@]3(N([C@](c4c(cc5c(c4)OCO5)C3)(Cc2ccc1OC)[H])C)[H]
SPLASH splash10-000i-0901000000-00e8669c661fa7896c18
Source of Spectrum X2-53-1271-1
Wiley ID 1603704