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Pancracine
SpectraBase Compound ID JQJWoSinswa
InChI InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11-,12-,13-,14-/m0/s1
InChIKey JKZMYBLUKAMPKM-XUXIUFHCSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71GhW2FDOv7
Name Pancracine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11-,12-,13-,14-/m0/s1
InChIKey JKZMYBLUKAMPKM-XUXIUFHCSA-N
Instrument Name Agilent 7890A-Quad 7000
Ionization Type EI
Literature Reference DOI 10.1002/pca.2865
Molecular Weight 287.315 g/mol
SMILES O[C@@]1([C@](C[C@]2(C(=C1)[C@]1(CN2Cc2cc3OCOc3cc12)[H])[H])(O)[H])[H]
SPLASH splash10-000i-0790000000-fa7e0d7ddeabc6533405
Source of Spectrum PA-31-51-17
Wiley ID 1840310