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9a,10E-Dihydroxy-1,2,3,4,4a,9,10,10a-(trans-4a,10a)-octahydrophenanthrene dicarbamate
SpectraBase Compound ID CXTDaUVER5t
InChI InChI=1S/C16H20N2O4/c17-13(19)21-15-8-3-4-9-16(15,22-14(18)20)12-6-2-1-5-11(12)7-10-15/h1-2,5-6H,3-4,7-10H2,(H2,17,19)(H2,18,20)/t15-,16-/m0/s1
InChIKey IYXNTFPQPDIIAG-HOTGVXAUSA-N
Mol Weight 304.35 g/mol
Molecular Formula C16H20N2O4
Exact Mass 304.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkeRubUmdh4
Name 9a,10E-Dihydroxy-1,2,3,4,4a,9,10,10a-(trans-4a,10a)-octahydrophenanthrene dicarbamate
CAS Registry Number 53447-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O4
InChI InChI=1S/C16H20N2O4/c17-13(19)21-15-8-3-4-9-16(15,22-14(18)20)12-6-2-1-5-11(12)7-10-15/h1-2,5-6H,3-4,7-10H2,(H2,17,19)(H2,18,20)/t15-,16-/m0/s1
InChIKey IYXNTFPQPDIIAG-HOTGVXAUSA-N
Molecular Weight 304.346 g/mol
SMILES NC(O[C@@]12[C@@](OC(=O)N)(c3c(CC2)cccc3)CCCC1)=O
SPLASH splash10-0ufv-0920000000-a3aa48c0689f4390af05
Source of Spectrum W5-1989-33357-32179
Synonyms (4aS,10aS)-10a-[(aminocarbonyl)oxy]-1,3,4,9,10,10a-hexahydro-4a(2H)-phenanthrenyl carbamate
Wiley ID 1306337