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2-.beta.-Hexyloxy-3-(N-ethylamino)-4-hydroxy-6-phenyl-1,5,7-trioxabicyclo[4.4.0]decane
SpectraBase Compound ID BQ9ICotzWNu
InChI InChI=1S/C21H33NO5/c1-3-5-6-10-13-24-21-17(22-4-2)18(23)19-16(26-21)14-25-20(27-19)15-11-8-7-9-12-15/h7-9,11-12,16-23H,3-6,10,13-14H2,1-2H3/t16?,17?,18?,19-,20+,21+/m0/s1
InChIKey KEMIPJLJEQRSHV-XUARRRLCSA-N
Mol Weight 379.5 g/mol
Molecular Formula C21H33NO5
Exact Mass 379.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29dkFzA08IU
Name 2-.beta.-Hexyloxy-3-(N-ethylamino)-4-hydroxy-6-phenyl-1,5,7-trioxabicyclo[4.4.0]decane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO5
InChI InChI=1S/C21H33NO5/c1-3-5-6-10-13-24-21-17(22-4-2)18(23)19-16(26-21)14-25-20(27-19)15-11-8-7-9-12-15/h7-9,11-12,16-23H,3-6,10,13-14H2,1-2H3/t16?,17?,18?,19-,20+,21+/m0/s1
InChIKey KEMIPJLJEQRSHV-XUARRRLCSA-N
Molecular Weight 379.497 g/mol
SMILES OC1C([C@@](OC2CO[C@](O[C@]12[H])(c1ccccc1)[H])(OCCCCCC)[H])NCC
SPLASH splash10-000i-9110000000-c5817e13a44be2c5fda1
Source of Spectrum O-31-494-5
Wiley ID 1358291