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2-Buten-1-ol, 2-methyl-4-(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1H)-yl)-, (3aS-(3aalpha(E),8aalpha))-
SpectraBase Compound ID 6EXGVD0AtZo
InChI InChI=1S/C16H22N2O/c1-12(11-19)7-8-16-9-10-18(2)15(16)17-14-6-4-3-5-13(14)16/h3-7,15,17,19H,8-11H2,1-2H3/b12-7+/t15-,16+/m1/s1
InChIKey YUFJTBNXHFFQKN-KQWWGNALSA-N
Mol Weight 258.36 g/mol
Molecular Formula C16H22N2O
Exact Mass 258.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2YUOo6W8IH
Name 2-Buten-1-ol, 2-methyl-4-(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1H)-yl)-, (3aS-(3aalpha(E),8aalpha))-
CAS Registry Number 113056-55-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O
InChI InChI=1S/C16H22N2O/c1-12(11-19)7-8-16-9-10-18(2)15(16)17-14-6-4-3-5-13(14)16/h3-7,15,17,19H,8-11H2,1-2H3/b12-7+/t15-,16+/m1/s1
InChIKey YUFJTBNXHFFQKN-KQWWGNALSA-N
Molecular Weight 258.365 g/mol
SMILES N1c2c([C@@]3(C\C=C\(CO)C)[C@]1(N(C)CC3)[H])cccc2
SPLASH splash10-05gi-0910000000-6cb6214ce5113a346787
Source of Spectrum J-53-1226-1
Synonyms 2-Methyl-4-(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1H)-yl)-2-buten-1-ol (3aS-(3aalpha(E),8aalpha))- Pseudophrynaminol
Wiley ID 1262106