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(3S,4R)-2-Benzyl-4-hydroxymethyl-3-isobutyl-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 8Jpu2Ww4rYt
InChI InChI=1S/C21H27NO/c1-16(2)12-21-20(15-23)19-11-7-6-10-18(19)14-22(21)13-17-8-4-3-5-9-17/h3-11,16,20-21,23H,12-15H2,1-2H3/t20-,21+/m1/s1
InChIKey ZWHVAJQEVFNXKO-RTWAWAEBSA-N
Mol Weight 309.45 g/mol
Molecular Formula C21H27NO
Exact Mass 309.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnW4RkG7Pp4
Name (3S,4R)-2-Benzyl-4-hydroxymethyl-3-isobutyl-1,2,3,4-tetrahydroisoquinoline
Alternate Name(s) ((3S,4R)-2-benzyl-3-isobutyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO
InChI InChI=1S/C21H27NO/c1-16(2)12-21-20(15-23)19-11-7-6-10-18(19)14-22(21)13-17-8-4-3-5-9-17/h3-11,16,20-21,23H,12-15H2,1-2H3/t20-,21+/m1/s1
InChIKey ZWHVAJQEVFNXKO-RTWAWAEBSA-N
Literature Reference DOI 10.1021/ol901388e
Molecular Weight 309.453 g/mol
SMILES OC[C@@]1(c2ccccc2CN(Cc2ccccc2)[C@]1(CC(C)C)[H])[H]
SPLASH splash10-0fz9-3690000000-7bd8da0fadf2c230eb9d
Source of Spectrum A1-11-3750/SMS7-6b
Wiley ID 1757130