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O-Acetylcaranine
SpectraBase Compound ID D2t30MzmU63
InChI InChI=1S/C18H19NO4/c1-10(20)23-14-3-2-11-4-5-19-8-12-6-15-16(22-9-21-15)7-13(12)17(14)18(11)19/h2,6-7,14,17-18H,3-5,8-9H2,1H3/t14-,17-,18-/m1/s1
InChIKey SEWQEQSXDGJDGG-ZTFGCOKTSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CXavbmNLUQ
Name O-Acetylcaranine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-10(20)23-14-3-2-11-4-5-19-8-12-6-15-16(22-9-21-15)7-13(12)17(14)18(11)19/h2,6-7,14,17-18H,3-5,8-9H2,1H3/t14-,17-,18-/m1/s1
InChIKey SEWQEQSXDGJDGG-ZTFGCOKTSA-N
Molecular Weight 313.353 g/mol
SMILES c1c2c(cc3c1OCO3)[C@@]1([C@@](CC=C3[C@]1(N(C2)CC3)[H])(OC(C)=O)[H])[H]
SPLASH splash10-0h00-0094000000-77e3cef290eeeb9b1121
Source of Spectrum PA-16-101-9
Synonyms (1R,3a1S,12bS)-2,3a1,4,5,7,12b-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-yl acetate
Wiley ID 1789480