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Crinan-1,3-diol

View entire compound with spectra: 1 MS (GC)

Crinan-1,3-diol
SpectraBase Compound ID 9SWkh02a634
InChI InChI=1S/C16H19NO4/c18-10-4-14-16(15(19)5-10)1-2-17(14)7-9-3-12-13(6-11(9)16)21-8-20-12/h3,6,10,14-15,18-19H,1-2,4-5,7-8H2
InChIKey JXWWVQNGNUPPCT-UHFFFAOYSA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97WCgfTkCW1
Name Crinan-1,3-diol
Alternate Name(s) 1,3-cis-Dihydroxycrinane
CAS Registry Number 41928-95-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c18-10-4-14-16(15(19)5-10)1-2-17(14)7-9-3-12-13(6-11(9)16)21-8-20-12/h3,6,10,14-15,18-19H,1-2,4-5,7-8H2
InChIKey JXWWVQNGNUPPCT-UHFFFAOYSA-N
Molecular Weight 289.331 g/mol
SMILES OC1C23C(CC(C1)O)N(CC3)Cc1cc3c(cc21)OCO3
SPLASH splash10-000i-0090000000-3652053e0bb5a1870c4f
Source of Spectrum O-7-405-12
Wiley ID 1292625