For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(3S,4R)-4-(Nitromethyl)-3-propylchroman

View entire compound with spectra: 1 MS (GC)

(3S,4R)-4-(Nitromethyl)-3-propylchroman
SpectraBase Compound ID 59uxhx8EzUv
InChI InChI=1S/C13H17NO3/c1-2-5-10-9-17-13-7-4-3-6-11(13)12(10)8-14(15)16/h3-4,6-7,10,12H,2,5,8-9H2,1H3/t10-,12-/m1/s1
InChIKey SSQQBJXFKIHEKK-ZYHUDNBSSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EfFOFBOvwvc
Name (3S,4R)-4-(Nitromethyl)-3-propylchroman
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-2-5-10-9-17-13-7-4-3-6-11(13)12(10)8-14(15)16/h3-4,6-7,10,12H,2,5,8-9H2,1H3/t10-,12-/m1/s1
InChIKey SSQQBJXFKIHEKK-ZYHUDNBSSA-N
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 235.283 g/mol
SMILES C1Oc2ccccc2[C@](C[N+](=O)[O-])([C@@]1(CCC)[H])[H]
SPLASH splash10-000t-1910000000-f7768c94615fd88d870f
Source of Spectrum ASC-352-2869/SM7-5a
Wiley ID 1764142