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(1'S,1"S,2S,5'R,8'S)-2-[2'-(1"-Phenylethyl)-3',7'-dioxa-2'-azabicyclo[3.3.0]oct-8'-yl]-3-oxahex-5-en-1-ol
SpectraBase Compound ID CGWSJZ8as0I
InChI InChI=1S/C18H25NO4/c1-3-9-21-16(10-20)18-17-15(11-22-18)12-23-19(17)13(2)14-7-5-4-6-8-14/h3-8,13,15-18,20H,1,9-12H2,2H3/t13?,15-,16+,17+,18-/m1/s1
InChIKey JHGQCGHSUPGDJR-NFEUPGRZSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqgSfnZdZUW
Name (1'S,1"S,2S,5'R,8'S)-2-[2'-(1"-Phenylethyl)-3',7'-dioxa-2'-azabicyclo[3.3.0]oct-8'-yl]-3-oxahex-5-en-1-ol
Comments Less than 3 mono-isotopic peaks
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Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-3-9-21-16(10-20)18-17-15(11-22-18)12-23-19(17)13(2)14-7-5-4-6-8-14/h3-8,13,15-18,20H,1,9-12H2,2H3/t13?,15-,16+,17+,18-/m1/s1
InChIKey JHGQCGHSUPGDJR-NFEUPGRZSA-N
Molecular Weight 319.401 g/mol
SMILES OC[C@@]([C@@]1([C@]2(N(OC[C@]2(CO1)[H])C(c1ccccc1)C)[H])[H])(OCC=C)[H]
SPLASH splash10-0udi-0900000000-c49d56011962facca501
Source of Spectrum KC-0-3723-10
Synonyms (1'S,1''S,2S,5'R,8'S)-2-[2'-(1''-Phenylethyl)-3',7'-dioxa-2'-azabicyclo[3.3.0]oct-8'-yl]-3-oxahex-5-en-1-ol (2S)-2-[(3aR,6S,6aS)-1-(1-phenylethyl)tetrahydro-1H,3H-furo[3,4-c]isoxazol-6-yl]-2-(allyloxy)ethanol
Wiley ID 826946